{ "phase": "Phase 1: Raw Data Audit", "timestamp": "2026-07-21 23:07:42", "total_entries": 266732, "sources": { "oqmd": 171780, "mp": 69279, "jarvis": 25673 }, "findings": [ { "severity": "PASS", "phase": "source_integrity", "check": "source_oqmd", "status": "171,780 entries", "detail": "", "timestamp": "2026-07-21 23:07:26" }, { "severity": "PASS", "phase": "source_integrity", "check": "source_mp", "status": "69,279 entries", "detail": "", "timestamp": "2026-07-21 23:07:26" }, { "severity": "PASS", "phase": "source_integrity", "check": "source_jarvis", "status": "25,673 entries", "detail": "", "timestamp": "2026-07-21 23:07:26" }, { "severity": "PASS", "phase": "source_integrity", "check": "all_sources_known", "status": "3 valid sources", "detail": "", "timestamp": "2026-07-21 23:07:26" }, { "severity": "PASS", "phase": "schema", "check": "structure_json_valid", "status": "all parseable", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "PASS", "phase": "schema", "check": "no_duplicate_ids", "status": "all source IDs unique", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "PASS", "phase": "source_stats", "check": "mp_formation_energy_per_atom_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "PASS", "phase": "source_stats", "check": "mp_energy_above_hull_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "PASS", "phase": "source_stats", "check": "mp_band_gap_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "PASS", "phase": "source_stats", "check": "mp_space_group_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "PASS", "phase": "source_stats", "check": "mp_volume_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "PASS", "phase": "source_stats", "check": "mp_density_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "PASS", "phase": "source_stats", "check": "oqmd_formation_energy_per_atom_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "PASS", "phase": "source_stats", "check": "oqmd_energy_above_hull_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "MEDIUM", "phase": "source_stats", "check": "oqmd_band_gap_missing", "status": "151 / 171,780 (0.1%)", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "MEDIUM", "phase": "source_stats", "check": "oqmd_space_group_missing", "status": "16 / 171,780 (0.0%)", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "PASS", "phase": "source_stats", "check": "oqmd_volume_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:41" }, { "severity": "PASS", "phase": "source_stats", "check": "oqmd_density_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:42" }, { "severity": "PASS", "phase": "source_stats", "check": "jarvis_formation_energy_per_atom_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:42" }, { "severity": "CRITICAL", "phase": "source_stats", "check": "jarvis_energy_above_hull_missing", "status": "25,673 / 25,673 (100.0%)", "detail": "", "timestamp": "2026-07-21 23:07:42" }, { "severity": "PASS", "phase": "source_stats", "check": "jarvis_band_gap_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:42" }, { "severity": "PASS", "phase": "source_stats", "check": "jarvis_space_group_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:42" }, { "severity": "PASS", "phase": "source_stats", "check": "jarvis_volume_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:42" }, { "severity": "PASS", "phase": "source_stats", "check": "jarvis_density_present", "status": "0 missing (100% coverage)", "detail": "", "timestamp": "2026-07-21 23:07:42" }, { "severity": "PASS", "phase": "license", "check": "oqmd_license", "status": "171,780 entries: non-commercial use OK", "detail": "OQMD allows non-commercial use with attribution", "timestamp": "2026-07-21 23:07:42" }, { "severity": "PASS", "phase": "license", "check": "mp_license", "status": "69,279 entries: CC BY 4.0", "detail": "MP requires attribution", "timestamp": "2026-07-21 23:07:42" }, { "severity": "PASS", "phase": "license", "check": "jarvis_license", "status": "25,673 entries: CC0", "detail": "No restrictions", "timestamp": "2026-07-21 23:07:42" } ], "summary": { "CRITICAL": 1, "HIGH": 0, "MEDIUM": 2, "LOW": 0, "PASS": 24 } }