{
  "phase": "Per-Source Reports",
  "timestamp": "2026-07-21 21:38:01",
  "total_entries": 266732,
  "sources": {
    "mp": {
      "source": "mp",
      "full_name": "Materials Project",
      "count": 69279,
      "pct_of_total": 25.97,
      "tiers": {
        "gold": {
          "count": 43607,
          "pct": 62.94
        },
        "validated": {
          "count": 25606,
          "pct": 36.96
        },
        "raw": {
          "count": 66,
          "pct": 0.1
        }
      },
      "families": {
        "layered_oxide": {
          "count": 28727,
          "pct": 41.47
        },
        "intermetallic": {
          "count": 14148,
          "pct": 20.42
        },
        "halide_sse": {
          "count": 9082,
          "pct": 13.11
        },
        "sulfide_sse": {
          "count": 7666,
          "pct": 11.07
        },
        "oxide": {
          "count": 4338,
          "pct": 6.26
        },
        "polyanion": {
          "count": 2669,
          "pct": 3.85
        },
        "unknown": {
          "count": 1664,
          "pct": 2.4
        },
        "nasicon": {
          "count": 558,
          "pct": 0.81
        },
        "borohydride": {
          "count": 406,
          "pct": 0.59
        },
        "garnet": {
          "count": 21,
          "pct": 0.03
        }
      },
      "formation_energy_per_atom": {
        "n": 69279,
        "missing": 0,
        "missing_pct": 0.0,
        "mean": -1.7015,
        "median": -2.0059,
        "std": 1.1343,
        "min": -4.3739,
        "max": 4.9432
      },
      "energy_above_hull": {
        "n": 69279,
        "missing": 0,
        "missing_pct": 0.0,
        "mean": 0.1657,
        "median": 0.0671,
        "std": 0.3879,
        "min": 0.0,
        "max": 7.6076
      },
      "band_gap": {
        "n": 69279,
        "missing": 0,
        "missing_pct": 0.0,
        "mean": 1.2743,
        "median": 0.5252,
        "std": 1.5821,
        "min": 0.0,
        "max": 8.7581
      },
      "quality_scores": {
        "mean": 87.44,
        "median": 88.0,
        "histogram": {
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          "20.0-30.0": 0,
          "30.0-40.0": 0,
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          "80.0-90.0": 69137,
          "90.0-100.0": 0
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      },
      "structure": {
        "volume_median": 336.87,
        "volume_missing": 0,
        "density_median": 3.67,
        "space_group_n_unique": 221,
        "space_group_missing": 0
      },
      "top_elements": {
        "O": 44805,
        "Li": 19806,
        "Mg": 17807,
        "Na": 12356,
        "P": 10211,
        "Ca": 8115,
        "Mn": 7712,
        "K": 7515,
        "Si": 7348,
        "Al": 7318
      },
      "cross_source_overlap": {
        "jarvis": {
          "formulas_in_common": 11741
        },
        "oqmd": {
          "formulas_in_common": 225
        }
      },
      "metadata": {
        "known_biases": [
          "Overrepresents known stable phases",
          "Underrepresents metastable phases relevant to battery cycling",
          "Li/Na compounds well-represented but not comprehensive for solid electrolytes"
        ],
        "strengths": [
          "Highest metadata completeness (100% for all fields)",
          "Consistent DFT protocol across all entries",
          "Space group verified for every entry",
          "Actively maintained and corrected",
          "Widely cited and trusted"
        ],
        "weaknesses": [
          "Only contains thermodynamically stable/metastable compounds",
          "Limited battery-specific properties (no conductivity, migration barriers)",
          "Some computed properties may differ from experiment (band gap underestimation)",
          "Inorganic only \u2014 no polymer/organic electrolytes"
        ]
      }
    },
    "oqmd": {
      "source": "oqmd",
      "full_name": "Open Quantum Materials Database",
      "count": 171780,
      "pct_of_total": 64.4,
      "tiers": {
        "validated": {
          "count": 114984,
          "pct": 66.94
        },
        "raw": {
          "count": 56796,
          "pct": 33.06
        }
      },
      "families": {
        "intermetallic": {
          "count": 141903,
          "pct": 82.61
        },
        "layered_oxide": {
          "count": 7754,
          "pct": 4.51
        },
        "sulfide_sse": {
          "count": 6442,
          "pct": 3.75
        },
        "oxide": {
          "count": 5929,
          "pct": 3.45
        },
        "halide_sse": {
          "count": 5834,
          "pct": 3.4
        },
        "unknown": {
          "count": 2395,
          "pct": 1.39
        },
        "polyanion": {
          "count": 1373,
          "pct": 0.8
        },
        "borohydride": {
          "count": 150,
          "pct": 0.09
        }
      },
      "formation_energy_per_atom": {
        "n": 171780,
        "missing": 0,
        "missing_pct": 0.0,
        "mean": -0.053,
        "median": 0.0599,
        "std": 0.9551,
        "min": -4.2702,
        "max": 45.1713
      },
      "energy_above_hull": {
        "n": 171780,
        "missing": 0,
        "missing_pct": 0.0,
        "mean": 0.4744,
        "median": 0.3537,
        "std": 0.518,
        "min": 0.0,
        "max": 47.0331
      },
      "band_gap": {
        "n": 171629,
        "missing": 151,
        "missing_pct": 0.09,
        "mean": 0.2687,
        "median": 0.0,
        "std": 0.9616,
        "min": 0.0,
        "max": 12.433
      },
      "quality_scores": {
        "mean": 73.37,
        "median": 73.0,
        "histogram": {
          "0.0-10.0": 0,
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          "20.0-30.0": 0,
          "30.0-40.0": 0,
          "40.0-50.0": 2,
          "50.0-60.0": 4802,
          "60.0-70.0": 31628,
          "70.0-80.0": 133177,
          "80.0-90.0": 2171,
          "90.0-100.0": 0
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      },
      "structure": {
        "volume_median": 73.49,
        "volume_missing": 47807,
        "density_median": 6.59,
        "space_group_n_unique": 0,
        "space_group_missing": 171780
      },
      "top_elements": {
        "Zn": 39124,
        "Li": 39010,
        "Mg": 37449,
        "Na": 25666,
        "Ca": 22938,
        "K": 22246,
        "O": 18529,
        "Cu": 10704,
        "Mn": 9946,
        "Co": 9934
      },
      "cross_source_overlap": {
        "jarvis": {
          "formulas_in_common": 339
        },
        "mp": {
          "formulas_in_common": 225
        }
      },
      "metadata": {
        "known_biases": [
          "Coordinate artifact (\u221a3/4 min_dist) now repaired \u2014 68% of entries affected",
          "Space group not computed during ingest \u2014 100% missing",
          "Volume set to 0 in original ingest for ~28% of entries",
          "Higher proportion of unstable/metastable phases than MP",
          "Composition search over-represents certain alloy families"
        ],
        "strengths": [
          "Largest open DFT database (817k raw entries)",
          "Covers many metastable phases relevant to battery applications",
          "Properties match MP within 0.21 eV/atom FE MAE for overlapping formulas",
          "Band gap agreement with JARVIS is excellent (MAE 0.10 eV)",
          "All 266k entries have complete FE, EaH, BG coverage"
        ],
        "weaknesses": [
          "Space group cannot be trusted \u2014 100% missing, needs symmetry recomputation",
          "Volume cannot be trusted for ~28% of entries (still show 0 from original ingest)",
          "Coordinate repair was necessary for 68% of entries",
          "No standard versioning or API",
          "Some multi-element formulas are concatenated without separators (e.g., Mg12Ni6Pr6)"
        ]
      }
    },
    "jarvis": {
      "source": "jarvis",
      "full_name": "JARVIS-DFT (Joint Automated Repository for Various Integrated Simulations)",
      "count": 25673,
      "pct_of_total": 9.63,
      "tiers": {
        "gold": {
          "count": 23567,
          "pct": 91.8
        },
        "raw": {
          "count": 2106,
          "pct": 8.2
        }
      },
      "families": {
        "intermetallic": {
          "count": 10879,
          "pct": 42.38
        },
        "layered_oxide": {
          "count": 5534,
          "pct": 21.56
        },
        "halide_sse": {
          "count": 3887,
          "pct": 15.14
        },
        "sulfide_sse": {
          "count": 2251,
          "pct": 8.77
        },
        "oxide": {
          "count": 1661,
          "pct": 6.47
        },
        "unknown": {
          "count": 890,
          "pct": 3.47
        },
        "polyanion": {
          "count": 477,
          "pct": 1.86
        },
        "borohydride": {
          "count": 90,
          "pct": 0.35
        },
        "garnet": {
          "count": 2,
          "pct": 0.01
        },
        "nasicon": {
          "count": 2,
          "pct": 0.01
        }
      },
      "formation_energy_per_atom": {
        "n": 25673,
        "missing": 0,
        "missing_pct": 0.0,
        "mean": -1.0553,
        "median": -0.7941,
        "std": 1.072,
        "min": -4.3126,
        "max": 4.2409
      },
      "band_gap": {
        "n": 25673,
        "missing": 0,
        "missing_pct": 0.0,
        "mean": 0.8138,
        "median": 0.0,
        "std": 1.5248,
        "min": 0.0,
        "max": 9.106
      },
      "quality_scores": {
        "mean": 77.78,
        "median": 78.0,
        "histogram": {
          "0.0-10.0": 0,
          "10.0-20.0": 0,
          "20.0-30.0": 0,
          "30.0-40.0": 0,
          "40.0-50.0": 0,
          "50.0-60.0": 5,
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          "70.0-80.0": 12691,
          "80.0-90.0": 12341,
          "90.0-100.0": 0
        }
      },
      "structure": {
        "volume_median": null,
        "volume_missing": 25673,
        "density_median": 4.18,
        "space_group_n_unique": 187,
        "space_group_missing": 0
      },
      "top_elements": {
        "O": 8932,
        "Li": 8033,
        "Mg": 5074,
        "Na": 4022,
        "Zn": 3738,
        "Ca": 3719,
        "K": 3180,
        "F": 2272,
        "Mn": 1739,
        "S": 1582
      },
      "cross_source_overlap": {
        "mp": {
          "formulas_in_common": 11741
        },
        "oqmd": {
          "formulas_in_common": 339
        }
      },
      "metadata": {
        "known_biases": [
          "EaH not computed \u2014 100% missing",
          "Overlaps heavily with MP (11,741 formulas in common)",
          "TBmBJ band gaps differ systematically from PBE (MAE 0.29 eV vs MP)",
          "Smaller dataset (28k raw) limits family diversity"
        ],
        "strengths": [
          "TBmBJ band gaps are more accurate than standard PBE",
          "25,673 entries can serve as band gap correction dataset",
          "High structural agreement with MP (78.6% space group match)",
          "Complete metadata (space group, volume, density for every entry)",
          "Public domain license (CC0) \u2014 no restrictions",
          "78% of entries qualify for Gold tier"
        ],
        "weaknesses": [
          "No energy above hull \u2014 cannot assess thermodynamic stability",
          "Only 26k entries vs 69k (MP) and 172k (OQMD)",
          "Overlaps 98% with MP \u2014 limited unique coverage",
          "Some materials are not SSB-relevant"
        ]
      }
    }
  },
  "overlap_matrix": {
    "mp_oqmd": {
      "pair": "mp\u2194oqmd",
      "overlap": {
        "formulas_in_common": 225
      }
    },
    "jarvis_mp": {
      "pair": "jarvis\u2194mp",
      "overlap": {
        "formulas_in_common": 11741
      }
    },
    "jarvis_oqmd": {
      "pair": "jarvis\u2194oqmd",
      "overlap": {
        "formulas_in_common": 339
      }
    }
  }
}