{
 "schema": "rtlab.claims.v1",
 "generated": "2026-09-09",
 "note": "Every number stated in prose on /rtlab/ and /rtlab/concept.html that is not the 293 K / 1 bar target lives here with its source. 'literature' claims quote a paper; 'measured' claims quote an experiment; 'generated' claims are this site's own computed data and point at the file that carries them. The test suite fails if a page states a numeric claim that is not in this ledger.",
 "sources": {
  "sun2024": {
   "authors": "Sun and Zhu",
   "title": "Hydride units filled boron–carbon clathrate: a pathway for high-temperature superconductivity at ambient pressure",
   "journal": "Communications Physics",
   "volume": "7",
   "page": "324",
   "year": 2024,
   "doi": "10.1038/s42005-024-01814-3"
  },
  "xu2026": {
   "authors": "Xu, Schneble, Jaramillo, Polański and Li",
   "title": "Prediction of ambient-pressure high-temperature superconductivity in electronically modified transition-metal hydrides",
   "journal": "npj Computational Materials",
   "volume": "12",
   "page": "183",
   "year": 2026,
   "doi": "10.1038/s41524-026-02040-x"
  },
  "deng2026": {
   "authors": "Deng, Habamahoro, Safezoddeh, Karki, Kazibwe, Schulze, Wu, Julian, Prasankumar, Zhou, Smith, Hosur and Chu",
   "title": "Ambient-pressure 151-K superconductivity in HgBa2Ca2Cu3O8+δ via pressure quench",
   "journal": "Proceedings of the National Academy of Sciences",
   "volume": "123",
   "page": "e2536178123",
   "year": 2026,
   "doi": "10.1073/pnas.2536178123"
  },
  "kong2001": {
   "authors": "Kong, Dolgov, Jepsen and Andersen",
   "title": "Electron-phonon interaction in the normal and superconducting states of MgB2",
   "journal": "Physical Review B",
   "volume": "64",
   "page": "020501(R)",
   "year": 2001,
   "doi": "10.1103/PhysRevB.64.020501",
   "arxiv": "cond-mat/0102499"
  },
  "nagamatsu2001": {
   "authors": "Nagamatsu, Nakagawa, Muranaka, Zenitani and Akimitsu",
   "title": "Superconductivity at 39 K in magnesium diboride",
   "journal": "Nature",
   "volume": "410",
   "page": "63",
   "year": 2001,
   "doi": "10.1038/35065039"
  },
  "duan2014": {
   "authors": "Duan, Liu, Tian, Li, Huang, Zhao, Yu, Liu, Tian and Cui",
   "title": "Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity",
   "journal": "Scientific Reports",
   "volume": "4",
   "page": "6968",
   "year": 2014,
   "doi": "10.1038/srep06968"
  },
  "drozdov2015": {
   "authors": "Drozdov, Eremets, Troyan, Ksenofontov and Shylin",
   "title": "Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system",
   "journal": "Nature",
   "volume": "525",
   "page": "73",
   "year": 2015,
   "doi": "10.1038/nature14964"
  },
  "liu2017": {
   "authors": "Liu, Naumov, Hoffmann, Ashcroft and Hemley",
   "title": "Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure",
   "journal": "Proceedings of the National Academy of Sciences",
   "volume": "114",
   "page": "6990",
   "year": 2017,
   "doi": "10.1073/pnas.1704505114"
  },
  "drozdov2019": {
   "authors": "Drozdov, Kong, Minkov, Besedin, Kuzovnikov, Mozaffari, Balicas, Balakirev, Graf, Prakapenka, Greenberg, Knyazev, Tkacz and Eremets",
   "title": "Superconductivity at 250 K in lanthanum hydride under high pressures",
   "journal": "Nature",
   "volume": "569",
   "page": "528",
   "year": 2019,
   "doi": "10.1038/s41586-019-1201-8"
  },
  "zhu2020": {
   "authors": "Zhu, Borstad, Liu, Guńka, Guerette, Dolyniuk, Meng, Greenberg, Prakapenka, Chaloux, Epshteyn, Cohen and Strobel",
   "title": "Carbon-boron clathrates as a new class of sp3-bonded framework materials",
   "journal": "Science Advances",
   "volume": "6",
   "page": "eaay8361",
   "year": 2020,
   "doi": "10.1126/sciadv.aay8361"
  },
  "zhu2023": {
   "authors": "Zhu, Liu, Somayazulu, Meng, Guńka, Shiell, Kenney-Benson, Chariton, Prakapenka, Yoon, Horn, Paglione, Hoffmann, Cohen and Strobel",
   "title": "Superconductivity in SrB3C3 clathrate",
   "journal": "Physical Review Research",
   "volume": "5",
   "page": "013012",
   "year": 2023,
   "doi": "10.1103/PhysRevResearch.5.013012",
   "arxiv": "1708.03483"
  },
  "waldecker2016": {
   "authors": "Waldecker, Bertoni, Ernstorfer and Vorberger",
   "title": "Electron-Phonon Coupling and Energy Flow in a Simple Metal beyond the Two-Temperature Approximation",
   "journal": "Physical Review X",
   "volume": "6",
   "page": "021003",
   "year": 2016,
   "doi": "10.1103/PhysRevX.6.021003",
   "arxiv": "1507.03743"
  },
  "tcmap": {
   "authors": "This site",
   "title": "Tc landscape record, generated by scripts/rtlab/tc_map.py with the shipped toolkit's Eliashberg solver on this site's Raspberry Pi",
   "file": "data/tc-map.json"
  },
  "albench": {
   "authors": "This site",
   "title": "Aluminium pipeline benchmark, Quantum ESPRESSO 7.4 on this site's Raspberry Pi, generated by scripts/rtlab/al_benchmark.sh and al_benchmark.py",
   "file": "data/al-benchmark.json"
  },
  "mgb2bench": {
   "authors": "This site",
   "title": "MgB2 reproduction attempt, Quantum ESPRESSO 7.4 on this site's Raspberry Pi (6x6x3 q mesh, 12x12x9 k; checked against 4x4x3 / 8x8x6), generated by scripts/rtlab/mgb2_benchmark.sh and qe_benchmark.py",
   "file": "data/mgb2-benchmark.json"
  },
  "srb3c3job": {
   "authors": "This site",
   "title": "SrB3C3 through the toolkit's own prepare/run stages (relax, scf, dos, phonons on a 2x2x2 q mesh) on a rented 32-core node with the same QE build as the Pi; generated by scripts/rtlab/hf_toolkit_job.sh and job_record.py",
   "file": "data/srb3c3-hf-job.json"
  },
  "srnh4job": {
   "authors": "This site",
   "title": "SrNH4B6C6 (Fmmm, 36-atom primitive cell) through the toolkit's own prepare/run stages on a rented 32-core node, LDA, Gamma-point phonons only; generated by scripts/rtlab/hf_toolkit_job.sh and job_record.py",
   "file": "data/srnh4b6c6-gamma-hf-job.json"
  },
  "srnh4a2f": {
   "authors": "This site",
   "title": "SrNH4B6C6 (Fmmm) electron–phonon spectrum on a rented 32-core node: LDA, ecutwfc 40 Ry, k 4x4x4 (fit 8x8x8), q 2x2x2 in five per-q jobs, assembled with q2r/matdyn; generated by scripts/rtlab/a2f_job.sh and a2f_record.py",
   "file": "data/srnh4b6c6-a2f.json"
  },
  "dolui2024": {
   "authors": "Dolui, Conway, Heil, Strobel, Prasankumar and Pickard",
   "title": "Feasible Route to High-Temperature Ambient-Pressure Hydride Superconductivity",
   "journal": "Physical Review Letters",
   "volume": "132",
   "page": "166001",
   "year": 2024,
   "doi": "10.1103/PhysRevLett.132.166001",
   "arxiv": "2310.07562"
  },
  "wang2024": {
   "authors": "Wang et al.",
   "title": "Why Mg2IrH6 Is Predicted to Be a High-Temperature Superconductor, But Ca2IrH6 Is Not",
   "journal": "Angewandte Chemie International Edition",
   "volume": "63",
   "page": "e202412687",
   "year": 2024,
   "doi": "10.1002/anie.202412687"
  },
  "mg2irh6a2f": {
   "authors": "This site",
   "title": "Mg2IrH6 electron–phonon spectrum on a rented 32-core node: LDA, ecutwfc 40 Ry, q 4x4x4 (8 irreducible), k 16x16x16 (fit 32x32x32) with the 12x12x12 mesh as the agreement check (8x8x8 also run); generated by scripts/rtlab/a2f_job.sh and a2f_record.py",
   "file": "data/mg2irh6-a2f.json"
  },
  "ca2irh6a2f": {
   "authors": "This site",
   "title": "Ca2IrH6 electron–phonon spectrum on a rented 32-core node: LDA, ecutwfc 40 Ry, q 4x4x4 (8 irreducible), k 8x8x8 (fit 16x16x16); generated by scripts/rtlab/a2f_job.sh and a2f_record.py",
   "file": "data/ca2irh6-a2f.json"
  },
  "sanna2024": {
   "authors": "Sanna, Cerqueira, Fang, Errea, Ludwig and Marques",
   "title": "Prediction of ambient pressure conventional superconductivity above 80 K in hydride compounds",
   "journal": "npj Computational Materials",
   "volume": "10",
   "page": "44",
   "year": 2024,
   "doi": "10.1038/s41524-024-01214-9"
  },
  "wu2026": {
   "authors": "Wu, Wang, Liu et al.",
   "title": "Superconducting hydride Mg2RhH6 experimentally achieved at lower pressure",
   "journal": "Journal of the American Chemical Society",
   "volume": "148",
   "page": "36854",
   "year": 2026,
   "doi": "10.1021/jacs.6c08889",
   "arxiv": "2608.15745"
  },
  "ouyang2025": {
   "authors": "Ouyang, Yao, Han, Guo, Gao and Lu",
   "title": "High temperature superconductivity in Li2AuH6 mediated by strong electron-phonon coupling under ambient pressure",
   "journal": "Physical Review B",
   "volume": "111",
   "page": "L140501",
   "year": 2025,
   "doi": "10.1103/PhysRevB.111.L140501",
   "arxiv": "2501.12222"
  },
  "mg2rhh6a2f": {
   "authors": "This site",
   "title": "Mg2RhH6 electron–phonon spectrum on a rented 32-core node (LDA, q 4x4x4, k 12x12x12 with 8x8x8 as the agreement check); generated by scripts/rtlab/a2f_batch.py, a2f_job.sh and a2f_record.py",
   "file": "data/mg2rhh6-a2f.json"
  },
  "li2auh6a2f": {
   "authors": "This site",
   "title": "Li2AuH6 electron–phonon spectrum on a rented 32-core node (same recipe); generated by the same scripts",
   "file": "data/li2auh6-a2f.json"
  },
  "li2026cpl": {
   "authors": "Li, Cao, Zhai, Wu, Chi, Liu and Sun",
   "title": "High-Tc nearly-free-electron superconductivity in quaternary hydrides under ambient pressure",
   "journal": "Chinese Physics Letters",
   "volume": "43",
   "page": "010712",
   "year": 2026,
   "doi": "10.1088/0256-307X/43/1/010712"
  },
  "limgauh6a2f": {
   "authors": "This site",
   "title": "LiMgAuH6 electron–phonon spectrum on a rented 32-core node (LDA, q 4x4x4, k 12x12x12 with 8x8x8 as the agreement check); generated by scripts/rtlab/a2f_batch.py, a2f_job.sh and a2f_record.py",
   "file": "data/limgauh6-a2f.json"
  },
  "srnh4a2fvalid": {
   "authors": "This site",
   "title": "Validity check of the SrNH4B6C6 alpha2F run (2026-09-23): final recomputed relaxation stress and the phonons at every computed q-point, Gamma re-read with the acoustic sum rule; generated by scripts/rtlab/phonon_floor.py",
   "file": "data/srnh4b6c6-a2f/validity.json"
  },
  "srnh4v2": {
   "authors": "This site",
   "title": "SrNH4B6C6 (Fmmm) recompute on a rented 32-core node, 2026-09-24: LDA, ecutwfc 50 Ry, relaxation re-run to a small recomputed stress, tr2_ph 1e-14, k 4x4x4 (fit 8x8x8), q 2x2x2; generated by scripts/rtlab/a2f_job.sh and validity_check.py",
   "file": "data/srnh4b6c6-v2-a2f/recompute.json"
  },
  "errea2015": {
   "authors": "Errea, Calandra, Pickard, Nelson, Needs, Li, Liu, Zhang, Ma and Mauri",
   "title": "High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor",
   "journal": "Physical Review Letters",
   "volume": "114",
   "page": "157004",
   "year": 2015,
   "doi": "10.1103/PhysRevLett.114.157004"
  }
 },
 "claims": {
  "srnh4b6c6-tc": {
   "value": 85,
   "unit": "K",
   "kind": "literature",
   "text": "Predicted Tc of SrNH4B6C6 at ambient pressure",
   "source": "sun2024"
  },
  "pbnh4b6c6-tc": {
   "value": 115,
   "unit": "K",
   "kind": "literature",
   "text": "Predicted Tc of PbNH4B6C6 at ambient pressure",
   "source": "sun2024"
  },
  "mgalfeh6-ordered-tc": {
   "value": 130,
   "unit": "K",
   "kind": "literature",
   "text": "Predicted Tc of ordered MgAlFeH6",
   "source": "xu2026"
  },
  "mgalfeh6-disordered-tc": {
   "value": 40,
   "unit": "K",
   "kind": "literature",
   "text": "Random-alloy estimate for disordered MgAlFeH6",
   "source": "xu2026"
  },
  "mgalfeh6-hull": {
   "value": 0.11,
   "unit": "eV/atom",
   "kind": "literature",
   "text": "Energy above the convex hull for ordered MgAlFeH6",
   "source": "xu2026"
  },
  "mgalfeh6-lattice": {
   "value": 6.24,
   "unit": "Å",
   "kind": "literature",
   "text": "Rounded lattice parameter used for the MgAlFeH6 starting cell",
   "source": "xu2026"
  },
  "hg1223-quench-tc": {
   "value": 151,
   "unit": "K",
   "kind": "measured",
   "text": "Ambient-pressure Tc retained by pressure-quenched Hg-1223",
   "source": "deng2026"
  },
  "hg1223-degrade": {
   "value": 200,
   "unit": "K",
   "kind": "measured",
   "text": "Temperature above which the quenched Hg-1223 enhancement degrades",
   "source": "deng2026"
  },
  "mgb2-lambda": {
   "value": 0.87,
   "unit": "",
   "kind": "literature",
   "text": "Isotropic electron–phonon coupling of MgB2",
   "source": "kong2001"
  },
  "mgb2-omegalog": {
   "value": 504,
   "unit": "cm⁻¹",
   "kind": "literature",
   "text": "Logarithmic average phonon frequency of MgB2 (62 meV)",
   "source": "kong2001"
  },
  "mgb2-tc-calc": {
   "value": 40,
   "unit": "K",
   "kind": "literature",
   "text": "Isotropic Eliashberg Tc of MgB2 at μ* = 0.10",
   "source": "kong2001"
  },
  "mgb2-tc-measured": {
   "value": 39,
   "unit": "K",
   "kind": "measured",
   "text": "Measured Tc of MgB2",
   "source": "nagamatsu2001"
  },
  "h3s-lambda": {
   "value": 2.19,
   "unit": "",
   "kind": "literature",
   "text": "Electron–phonon coupling of Im-3m H3S at 200 GPa",
   "source": "duan2014"
  },
  "h3s-omegalog": {
   "value": 1334.6,
   "unit": "K",
   "kind": "literature",
   "text": "Logarithmic average phonon frequency of Im-3m H3S at 200 GPa (115 meV)",
   "source": "duan2014"
  },
  "h3s-tc-calc": {
   "value": [
    191,
    204
   ],
   "unit": "K",
   "kind": "literature",
   "text": "Allen–Dynes Tc of Im-3m H3S at 200 GPa for μ* = 0.13 to 0.10",
   "source": "duan2014"
  },
  "h3s-tc-measured": {
   "value": 203,
   "unit": "K",
   "kind": "measured",
   "text": "Measured Tc of the sulfur hydride at 155 GPa",
   "source": "drozdov2015"
  },
  "h3s-pressure-measured": {
   "value": 155,
   "unit": "GPa",
   "kind": "measured",
   "text": "Pressure of the 203 K measurement",
   "source": "drozdov2015"
  },
  "lah10-lambda": {
   "value": 2.29,
   "unit": "",
   "kind": "literature",
   "text": "Electron–phonon coupling of Fm-3m LaH10 at 250 GPa",
   "source": "liu2017"
  },
  "lah10-omegalog": {
   "value": 1253,
   "unit": "K",
   "kind": "literature",
   "text": "Logarithmic average phonon frequency of Fm-3m LaH10 at 250 GPa (108 meV)",
   "source": "liu2017"
  },
  "lah10-tc-calc": {
   "value": [
    257,
    274
   ],
   "unit": "K",
   "kind": "literature",
   "text": "Eliashberg Tc of Fm-3m LaH10 at 250 GPa for μ* = 0.13 to 0.10",
   "source": "liu2017"
  },
  "lah10-tc-measured": {
   "value": 250,
   "unit": "K",
   "kind": "measured",
   "text": "Measured Tc of lanthanum hydride at about 170 GPa",
   "source": "drozdov2019"
  },
  "lah10-pressure-measured": {
   "value": 170,
   "unit": "GPa",
   "kind": "measured",
   "text": "Pressure of the 250 K measurement",
   "source": "drozdov2019"
  },
  "srb3c3-lambda": {
   "value": 0.95,
   "unit": "",
   "kind": "literature",
   "text": "Electron–phonon coupling of SrB3C3 at 0 GPa",
   "source": "zhu2023"
  },
  "srb3c3-tc-calc": {
   "value": [
    27,
    43
   ],
   "unit": "K",
   "kind": "literature",
   "text": "Allen–Dynes Tc of SrB3C3 at 0 GPa for μ* = 0.17 to 0.10",
   "source": "zhu2023"
  },
  "srb3c3-tc-measured": {
   "value": 20,
   "unit": "K",
   "kind": "measured",
   "text": "Onset Tc of SrB3C3 measured at 40 GPa",
   "source": "zhu2023"
  },
  "srb3c3-pressure-measured": {
   "value": 40,
   "unit": "GPa",
   "kind": "measured",
   "text": "Pressure of the 20 K measurement",
   "source": "zhu2023"
  },
  "srb3c3-lattice": {
   "value": 4.88,
   "unit": "Å",
   "kind": "literature",
   "text": "Calculated lattice parameter of Pm-3n SrB3C3 at 0 GPa",
   "source": "zhu2020"
  },
  "srb3c3-bond": {
   "value": 1.73,
   "unit": "Å",
   "kind": "literature",
   "text": "The single B–C bond length of SrB3C3 at 0 GPa",
   "source": "zhu2020"
  },
  "srb3c3-lattice-measured": {
   "value": 4.5972,
   "unit": "Å",
   "kind": "measured",
   "text": "Lattice parameter of SrB3C3 measured at synthesis pressure",
   "source": "zhu2020"
  },
  "al-tc": {
   "value": 1.2,
   "unit": "K",
   "kind": "measured",
   "text": "Measured Tc of aluminium, as quoted in the source",
   "source": "waldecker2016"
  },
  "al-lambda": {
   "value": 0.42,
   "unit": "",
   "kind": "literature",
   "text": "Experimental electron–phonon coupling of aluminium (Savrasov and Savrasov 1996), as quoted in the source; DFT values quoted there run 0.43 to 0.47",
   "source": "waldecker2016"
  },
  "need-100mev": {
   "value": 3.34,
   "unit": "",
   "kind": "generated",
   "text": "Single-mode coupling needed at 100 meV for 293 K at μ* = 0.10",
   "source": "tcmap"
  },
  "two-mode-anchor": {
   "value": 243,
   "unit": "K",
   "kind": "generated",
   "text": "Solver Tc of the toolkit's synthetic two-mode example",
   "source": "tcmap"
  },
  "two-mode-deuterated": {
   "value": 180,
   "unit": "K",
   "kind": "generated",
   "text": "Solver Tc of the same example with the hydrogen mode scaled by 1/√2",
   "source": "tcmap"
  },
  "spectra-solved": {
   "value": 1900,
   "unit": "",
   "kind": "generated",
   "text": "Single-mode spectra solved for the landscape grid",
   "source": "tcmap"
  },
  "al-bench-lambda": {
   "value": 0.35,
   "unit": "",
   "kind": "generated",
   "text": "Integrated λ of the aluminium α²F computed on this site's Pi (σ = 0.035 Ry)",
   "source": "albench"
  },
  "al-bench-tc": {
   "value": 1.0,
   "unit": "K",
   "kind": "generated",
   "text": "Isotropic Eliashberg Tc of that α²F, toolkit solver, μ* = 0.10",
   "source": "albench"
  },
  "srnh4b6c6-lattice": {
   "value": 9.7937,
   "unit": "Å",
   "kind": "literature",
   "text": "DFT-relaxed lattice parameter a of the Fmmm SrNH4B6C6 phase at 0 GPa (supplementary Table S2; b = 9.7372, c = 9.7374 Å)",
   "source": "sun2024"
  },
  "mgb2-bench-lambda": {
   "value": 0.9,
   "unit": "",
   "kind": "generated",
   "text": "Integrated λ of the MgB2 α²F computed on this site's Pi at the smearing where the two meshes agree best (σ = 0.01 Ry); the smearing table spans 0.64 to 0.97",
   "source": "mgb2bench"
  },
  "mgb2-bench-omegalog": {
   "value": 56,
   "unit": "meV",
   "kind": "generated",
   "text": "ω_log of that α²F",
   "source": "mgb2bench"
  },
  "mgb2-bench-tc": {
   "value": 44,
   "unit": "K",
   "kind": "generated",
   "text": "Isotropic Eliashberg Tc of that α²F, toolkit solver, μ* = 0.10, 512 Matsubara frequencies",
   "source": "mgb2bench"
  },
  "mgb2-bench-range": {
   "value": [
    0.64,
    0.97
   ],
   "unit": "",
   "kind": "generated",
   "text": "Range of λ across the ten double-delta smearings of the dense MgB2 run",
   "source": "mgb2bench"
  },
  "srb3c3-relaxed-a": {
   "value": 4.755,
   "unit": "Å",
   "kind": "generated",
   "text": "LDA-relaxed cubic lattice parameter of SrB3C3 at 1 bar (Pi and rented node agree)",
   "source": "srb3c3job"
  },
  "srb3c3-phonon-max": {
   "value": 26,
   "unit": "THz",
   "kind": "generated",
   "text": "Highest phonon frequency of relaxed SrB3C3 on the 2x2x2 q mesh (about 870 cm⁻¹); lowest is real",
   "source": "srb3c3job"
  },
  "srnh4b6c6-phonon-max": {
   "value": 98,
   "unit": "THz",
   "kind": "generated",
   "text": "Highest Gamma-point phonon of relaxed SrNH4B6C6 (about 3283 cm⁻¹, an N–H stretch); lowest is real",
   "source": "srnh4job"
  },
  "srnh4b6c6-relaxed-vector": {
   "value": 6.7,
   "unit": "Å",
   "kind": "generated",
   "text": "LDA-relaxed primitive lattice-vector length of SrNH4B6C6 at 1 bar (6.89 Å in the paper's cell)",
   "source": "srnh4job"
  },
  "srnh4b6c6-paper-lambda": {
   "value": 2.01,
   "unit": "",
   "kind": "literature",
   "text": "λ of Fmmm SrNH4B6C6, interpolation method (Table S1; the tetrahedron method in the same table gives 3.53)",
   "source": "sun2024"
  },
  "srnh4b6c6-paper-omegalog": {
   "value": 377,
   "unit": "K",
   "kind": "literature",
   "text": "ω_log of Fmmm SrNH4B6C6, interpolation method (Table S1: 377.43 K; tetrahedron 203.86 K)",
   "source": "sun2024"
  },
  "srnh4b6c6-paper-tc-e": {
   "value": [
    68,
    73
   ],
   "unit": "K",
   "kind": "literature",
   "text": "Eliashberg Tc of Fmmm SrNH4B6C6 for μ* = 0.13 to 0.10, interpolation method (Table S1; tetrahedron 77 to 83 K; 85 K in the main text)",
   "source": "sun2024"
  },
  "srnh4b6c6-a2f-lambda": {
   "value": 1.07,
   "unit": "",
   "kind": "generated",
   "text": "Integrated λ of this project's SrNH4B6C6 α²F at the flattest smearing (σ = 0.035 Ry; QE's own table gives 1.16 there, and spans 1.16 to 1.46)",
   "source": "srnh4a2f"
  },
  "srnh4b6c6-a2f-omegalog": {
   "value": 44,
   "unit": "meV",
   "kind": "generated",
   "text": "ω_log of that α²F (510 K; QE's own ω_ln at the same smearing is 399 K)",
   "source": "srnh4a2f"
  },
  "srnh4b6c6-a2f-tc": {
   "value": 54,
   "unit": "K",
   "kind": "generated",
   "text": "Isotropic Eliashberg Tc of that α²F, toolkit solver, μ* = 0.10, 512 Matsubara frequencies (Allen–Dynes 43 K)",
   "source": "srnh4a2f"
  },
  "srnh4b6c6-a2f-framework-share": {
   "value": 80,
   "unit": "%",
   "kind": "generated",
   "text": "Share of λ below 700 cm⁻¹ (framework, Sr and NH4 libration modes)",
   "source": "srnh4a2f"
  },
  "srnh4b6c6-a2f-mid-share": {
   "value": 20,
   "unit": "%",
   "kind": "generated",
   "text": "Share of λ between 700 and 2000 cm⁻¹ (B–C stretches and NH4 bends mixed)",
   "source": "srnh4a2f"
  },
  "srnh4b6c6-a2f-nh-share": {
   "value": 0.0,
   "unit": "%",
   "kind": "generated",
   "text": "Share of λ in the N–H stretches above 2000 cm⁻¹",
   "source": "srnh4a2f"
  },
  "srnh4b6c6-a2f-compute": {
   "value": 5.8,
   "unit": "h",
   "kind": "generated",
   "text": "Rented-node wall time for the five q-points and the assembly (32 ranks)",
   "source": "srnh4a2f"
  },
  "mg2irh6-lattice": {
   "value": 6.66,
   "unit": "Å",
   "kind": "literature",
   "text": "Lattice parameter of cubic Fm-3m Mg2IrH6 at ambient pressure (Ir 4a, Mg 8c, H 24e x = 0.26)",
   "source": "dolui2024"
  },
  "mg2irh6-tc": {
   "value": [
    160,
    175
   ],
   "unit": "K",
   "kind": "literature",
   "text": "Predicted Tc of Mg2IrH6 at ambient pressure (160 K in the abstract; 160 to 175 K in the text)",
   "source": "dolui2024"
  },
  "mg2irh6-lambda": {
   "value": 2.5,
   "unit": "",
   "kind": "literature",
   "text": "Total electron–phonon coupling of Mg2IrH6 read from the paper's cumulative-λ figure (2.106 at 84.2%); 8.6% of it below the hydrogen bands",
   "source": "dolui2024"
  },
  "mg2irh6-h-share": {
   "value": 91,
   "unit": "%",
   "kind": "literature",
   "text": "Share of λ in hydrogen-derived phonon bands of Mg2IrH6, read as 100% minus the 8.6% cumulative at the low-frequency end of the paper's figure",
   "source": "dolui2024"
  },
  "mg2irh6-a2f-hshare": {
   "value": 69,
   "unit": "%",
   "kind": "generated",
   "text": "Share of Mg2IrH6's λ in Ir–H bending and stretching modes (above 400 cm⁻¹), stable across meshes and smearings",
   "source": "mg2irh6a2f"
  },
  "mg2irh6-a2f-lambda-range": {
   "value": [
    0.77,
    2.16
   ],
   "unit": "",
   "kind": "generated",
   "text": "Range of Mg2IrH6's QE λ across the ten double-delta smearings on the 16x16x16 mesh; the mesh-agreement pick against 12x12x12 now sits at σ = 0.01 Ry",
   "source": "mg2irh6a2f"
  },
  "mg2irh6-a2f-tc-range": {
   "value": [
    131,
    168
   ],
   "unit": "K",
   "kind": "generated",
   "text": "Isotropic Eliashberg Tc of Mg2IrH6, μ* = 0.10: at the mesh-agreement pick and at the smallest smearing",
   "source": "mg2irh6a2f"
  },
  "mg2irh6-a2f-omegalog": {
   "value": 63,
   "unit": "meV",
   "kind": "generated",
   "text": "ω_log of Mg2IrH6's α²F at the chosen smearing",
   "source": "mg2irh6a2f"
  },
  "ca2irh6-a2f-lambda": {
   "value": 0.39,
   "unit": "",
   "kind": "generated",
   "text": "Integrated λ of Ca2IrH6's α²F (QE table 0.48 to 0.54, flat across smearings)",
   "source": "ca2irh6a2f"
  },
  "ca2irh6-a2f-hshare": {
   "value": 32,
   "unit": "%",
   "kind": "generated",
   "text": "Share of Ca2IrH6's λ in Ir–H bending and stretching modes",
   "source": "ca2irh6a2f"
  },
  "ca2irh6-a2f-omegalog": {
   "value": 26,
   "unit": "meV",
   "kind": "generated",
   "text": "ω_log of Ca2IrH6's α²F",
   "source": "ca2irh6a2f"
  },
  "ca2irh6-a2f-floor": {
   "value": 8,
   "unit": "K",
   "kind": "generated",
   "text": "Resolved floor of the isotropic solver at 512 Matsubara frequencies for Ca2IrH6's spectrum; no transition was found above it",
   "source": "ca2irh6a2f"
  },
  "mg2rhh6-tc-pred": {
   "value": [
    45,
    80
   ],
   "unit": "K",
   "kind": "literature",
   "text": "Predicted Tc range of the Mg2XH6 family (X = Rh, Ir, Pd, Pt) at ambient pressure",
   "source": "sanna2024"
  },
  "mg2rhh6-tc-measured": {
   "value": 24,
   "unit": "K",
   "kind": "measured",
   "text": "Measured Tc of Mg2RhH6 at 30 GPa (29 K at 53 GPa), made from an Mg2RhH5 precursor",
   "source": "wu2026"
  },
  "mg2rhh6-pressure-measured": {
   "value": 30,
   "unit": "GPa",
   "kind": "measured",
   "text": "Pressure of the 24 K measurement",
   "source": "wu2026"
  },
  "li2auh6-tc-pred": {
   "value": 140,
   "unit": "K",
   "kind": "literature",
   "text": "Predicted Tc of cubic Li2AuH6 at ambient pressure",
   "source": "ouyang2025"
  },
  "mg2rhh6-a2f-hshare": {
   "value": 79,
   "unit": "%",
   "kind": "generated",
   "text": "Share of Mg2RhH6's λ in Rh–H bending and stretching modes",
   "source": "mg2rhh6a2f"
  },
  "mg2rhh6-a2f-lambda-range": {
   "value": [
    0.68,
    1.43
   ],
   "unit": "",
   "kind": "generated",
   "text": "QE λ of Mg2RhH6 across the smearing table on the 12x12x12 mesh",
   "source": "mg2rhh6a2f"
  },
  "mg2rhh6-a2f-tc-range": {
   "value": [
    32,
    113
   ],
   "unit": "K",
   "kind": "generated",
   "text": "Isotropic Eliashberg Tc of Mg2RhH6 from the mesh-agreement pick to the smallest smearing, μ* = 0.10",
   "source": "mg2rhh6a2f"
  },
  "li2auh6-a2f-hshare": {
   "value": 53,
   "unit": "%",
   "kind": "generated",
   "text": "Share of Li2AuH6's λ in Au–H bending and stretching modes",
   "source": "li2auh6a2f"
  },
  "li2auh6-a2f-lambda-range": {
   "value": [
    1.66,
    1.99
   ],
   "unit": "",
   "kind": "generated",
   "text": "QE λ of Li2AuH6 across the smearing table on the 12x12x12 mesh",
   "source": "li2auh6a2f"
  },
  "li2auh6-a2f-tc-range": {
   "value": [
    97,
    119
   ],
   "unit": "K",
   "kind": "generated",
   "text": "Isotropic Eliashberg Tc of Li2AuH6 from the mesh-agreement pick to the smallest smearing, μ* = 0.10",
   "source": "li2auh6a2f"
  },
  "mg2irh6-a2f-lambda": {
   "value": 1.72,
   "unit": "",
   "kind": "generated",
   "text": "Integrated λ of Mg2IrH6's α²F at the mesh-agreement pick (16x16x16 against 12x12x12 agree to 0.001 there)",
   "source": "mg2irh6a2f"
  },
  "limgauh6-tc-pred": {
   "value": 110,
   "unit": "K",
   "kind": "literature",
   "text": "Predicted Tc of LiMgAuH6 at ambient pressure is listed as above this value in the MAXH6 screen",
   "source": "li2026cpl"
  },
  "limgauh6-a2f-hshare": {
   "value": 66,
   "unit": "%",
   "kind": "generated",
   "text": "Share of LiMgAuH6's λ in Au–H bending and stretching modes",
   "source": "limgauh6a2f"
  },
  "limgauh6-a2f-lambda-range": {
   "value": [
    1.97,
    2.75
   ],
   "unit": "",
   "kind": "generated",
   "text": "QE λ of LiMgAuH6 across the smearing table on the 12x12x12 mesh",
   "source": "limgauh6a2f"
  },
  "limgauh6-a2f-tc-range": {
   "value": [
    119,
    153
   ],
   "unit": "K",
   "kind": "generated",
   "text": "Isotropic Eliashberg Tc of LiMgAuH6 from the mesh-agreement pick to the smallest smearing, μ* = 0.10",
   "source": "limgauh6a2f"
  },
  "limgauh6-a2f-wlog": {
   "value": 55,
   "unit": "meV",
   "kind": "generated",
   "text": "ω_log of LiMgAuH6 at the mesh-agreement smearing",
   "source": "limgauh6a2f"
  },
  "srnh4b6c6-a2f-ecut": {
   "value": 40,
   "unit": "Ry",
   "kind": "generated",
   "text": "Plane-wave cutoff (ecutwfc) of the relaxation and phonons behind the SrNH4B6C6 alpha2F",
   "source": "srnh4a2f"
  },
  "srnh4b6c6-gamma-ecut": {
   "value": 50,
   "unit": "Ry",
   "kind": "generated",
   "text": "Plane-wave cutoff (ecutwfc) of the separate Gamma-only SrNH4B6C6 job",
   "source": "srnh4job"
  },
  "srnh4b6c6-a2f-final-stress": {
   "value": -41,
   "unit": "kbar",
   "kind": "generated",
   "text": "Stress recomputed after the alpha2F run's variable-cell relaxation (final scf in the new basis; -40.95 kbar): the cell was not relaxed at that cutoff",
   "source": "srnh4a2fvalid"
  },
  "srnh4b6c6-a2f-lowest-mode": {
   "value": -14.6,
   "unit": "THz",
   "kind": "generated",
   "text": "Lowest phonon at the computed q-points of the alpha2F run (q4; every one of the five q-points has 3 to 5 modes below -0.5 THz, Gamma -6.1 THz with the acoustic sum rule imposed)",
   "source": "srnh4a2fvalid"
  },
  "mg2rhh6-a2f-participation": {
   "value": 78,
   "unit": "%",
   "kind": "generated",
   "text": "Eigenvector hydrogen participation of the mg2rhh6 alpha2F (coupling-weighted share of hydrogen motion, scripts/rtlab/add_participation.py); the frequency-window share counts modes by energy instead",
   "source": "mg2rhh6a2f"
  },
  "li2auh6-a2f-participation": {
   "value": 77,
   "unit": "%",
   "kind": "generated",
   "text": "Eigenvector hydrogen participation of the li2auh6 alpha2F (coupling-weighted share of hydrogen motion, scripts/rtlab/add_participation.py); the frequency-window share counts modes by energy instead",
   "source": "li2auh6a2f"
  },
  "limgauh6-a2f-participation": {
   "value": 82,
   "unit": "%",
   "kind": "generated",
   "text": "Eigenvector hydrogen participation of the limgauh6 alpha2F (coupling-weighted share of hydrogen motion, scripts/rtlab/add_participation.py); the frequency-window share counts modes by energy instead",
   "source": "limgauh6a2f"
  },
  "srnh4b6c6-v2-stress": {
   "value": -2,
   "unit": "kbar",
   "kind": "generated",
   "text": "Stress recomputed after the recompute's relaxation at 50 Ry (-1.99 kbar)",
   "source": "srnh4v2"
  },
  "srnh4b6c6-v2-soft": {
   "value": -2.3,
   "unit": "THz",
   "kind": "generated",
   "text": "Lowest phonon of the recompute: one imaginary mode at each of the three computed zone-boundary q-points along the Cartesian axes (-2.0, -2.1, -2.3 THz); Gamma and the fourth point are real",
   "source": "srnh4v2"
  },
  "srnh4b6c6-v2-lambda": {
   "value": 3.3,
   "unit": "",
   "kind": "generated",
   "text": "QE lambda of the recompute across smearings 0.01 to 0.05 Ry (3.27 to 3.38), inflated by the soft branch",
   "source": "srnh4v2"
  },
  "srnh4b6c6-v2-omegaln": {
   "value": 66,
   "unit": "K",
   "kind": "generated",
   "text": "QE omega_ln of the recompute at 0.03 to 0.04 Ry (66 K; 81 K at 0.01 Ry)",
   "source": "srnh4v2"
  },
  "h3s-lambda-harmonic-errea": {
   "value": 2.64,
   "unit": "",
   "kind": "literature",
   "text": "Harmonic electron–phonon coupling of Im-3m H3S at 200 GPa (PBE; Tables 1 and 4)",
   "source": "errea2015"
  },
  "h3s-lambda-anharmonic-errea": {
   "value": 1.84,
   "unit": "",
   "kind": "literature",
   "text": "Anharmonic (SSCHA) electron–phonon coupling of Im-3m H3S at 200 GPa (Tables 1 and 4)",
   "source": "errea2015"
  },
  "h3s-wlog-harmonic-errea": {
   "value": 90.4,
   "unit": "meV",
   "kind": "literature",
   "text": "Harmonic ω_log of Im-3m H3S at 200 GPa (Table 4)",
   "source": "errea2015"
  },
  "h3s-wlog-anharmonic-errea": {
   "value": 92.86,
   "unit": "meV",
   "kind": "literature",
   "text": "Anharmonic (SSCHA) ω_log of Im-3m H3S at 200 GPa (Table 4)",
   "source": "errea2015"
  }
 }
}