Scandium-Dataset / statistics /cross_source_agreement.json
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{
"phase": "Cross-Source Agreement Study",
"timestamp": "2026-07-21 21:08:07",
"total_entries": 266732,
"total_formulas": 148141,
"multi_source_formulas": 11915,
"pair_reports": {
"mp_oqmd": {
"source_a": "mp",
"source_b": "oqmd",
"n_overlapping_formulas": 225,
"n_entries_a": 450,
"n_entries_b": 2,
"property_agreement": {
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"mae": 0.2138,
"rmse": 0.3046,
"max": 1.1547,
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"median": 0.1401,
"bias_mean": 0.2138
},
"energy_above_hull": {
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"mae": 0.2072,
"rmse": 0.2996,
"max": 1.0614,
"p95": 0.7343,
"median": 0.16,
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},
"band_gap": {
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"rmse": 0.3912,
"max": 2.0309,
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"median": 0.0,
"bias_mean": 0.1525
},
"volume": {
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"rmse": 56.0977,
"max": 90.7166,
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},
"density": {
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},
"nsites": {
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"max": 95.8333,
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}
},
"space_group_agreement": {
"agree": 0,
"disagree": 0,
"missing_a": 0,
"missing_b": 225
},
"sg_agreement_pct": 0.0,
"detailed_samples": [
{
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{
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{
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{
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{
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{
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{
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