| # Source Audit |
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| **Date:** 2026-07-21 23:35:39 |
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| ## Dataset Overview |
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| The Scandium-Dataset v0.0 aggregates computational materials data from three sources, yielding **266,732 total entries** across three tiers (Gold, Validated, Raw). |
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| ### Source Distribution |
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| | Source | Entries | Percentage | License | |
| |--------|---------|------------|--------| |
| | Materials Project | 69,279 | 26.0% | CC BY 4.0 | |
| | OQMD | 171,780 | 64.4% | Non-commercial with attribution | |
| | JARVIS-DFT | 25,673 | 9.6% | CC0 | |
| ## Schema Integrity |
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| - ✅ **source_oqmd**: 171,780 entries |
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| - ✅ **source_mp**: 69,279 entries |
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| - ✅ **source_jarvis**: 25,673 entries |
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| - ✅ **all_sources_known**: 3 valid sources |
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| - ✅ **structure_json_valid**: all parseable |
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| - ✅ **no_duplicate_ids**: all source IDs unique |
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| ## License Compliance |
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| - **mp**: 69,279 entries: CC BY 4.0 |
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| - **oqmd**: 171,780 entries: non-commercial use OK |
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| - **jarvis**: 25,673 entries: CC0 |
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| ## Per-Source Statistics |
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| - ✅ **mp_formation_energy_per_atom_present**: 0 missing (100% coverage) |
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| - ✅ **mp_energy_above_hull_present**: 0 missing (100% coverage) |
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| - ✅ **mp_band_gap_present**: 0 missing (100% coverage) |
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| - ✅ **mp_space_group_present**: 0 missing (100% coverage) |
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| - ✅ **mp_volume_present**: 0 missing (100% coverage) |
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| - ✅ **mp_density_present**: 0 missing (100% coverage) |
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| - ✅ **oqmd_formation_energy_per_atom_present**: 0 missing (100% coverage) |
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| - ✅ **oqmd_energy_above_hull_present**: 0 missing (100% coverage) |
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| - ⚠️ **oqmd_band_gap_missing**: 151 / 171,780 (0.1%) |
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| - ⚠️ **oqmd_space_group_missing**: 16 / 171,780 (0.0%) |
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| - ✅ **oqmd_volume_present**: 0 missing (100% coverage) |
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| - ✅ **oqmd_density_present**: 0 missing (100% coverage) |
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| - ✅ **jarvis_formation_energy_per_atom_present**: 0 missing (100% coverage) |
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| - ❌ **jarvis_energy_above_hull_missing**: 25,673 / 25,673 (100.0%) |
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| - ✅ **jarvis_band_gap_present**: 0 missing (100% coverage) |
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| - ✅ **jarvis_space_group_present**: 0 missing (100% coverage) |
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| - ✅ **jarvis_volume_present**: 0 missing (100% coverage) |
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| - ✅ **jarvis_density_present**: 0 missing (100% coverage) |
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| ## Source Quality Summary |
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| | Source | Entries | Quality Mean | Quality Median | Key Strengths | Key Weaknesses | |
| |--------|---------|-------------|----------------|---------------|----------------| |
| | mp | 69,279 | 0.0 | 0.0 | | | |
| | oqmd | 171,780 | 0.0 | 0.0 | | | |
| | jarvis | 25,673 | 0.0 | 0.0 | | | |
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