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