File size: 1,438 Bytes
4ec61e1 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 | # Repair Audit — Data Corrections Applied
**Date:** 2026-07-21 23:35:48
## Repair 1: OQMD Coordinate Artifacts
- **Entries repaired:** all OQMD
- **Method:** Replaced fractional coordinates with values from structure_json (pymatgen Structure.as_dict())
- **Validation:** Distance matrix check — minimum distance cleared of `√3/4` artifact
- **Confidence:** High (structure_json confirmed valid by spglib symmetry detection)
## Repair 2: OQMD Symmetry (Space Group)
- **Entries processed:** 0
- **Successful:** 0
- **Failed:** N/A
- **Method:** spglib `get_space_group` on pymatgen Structure (11 parallel workers)
- **Rate:** ~460 entries/second
- **Current state:** 171,764/171,780 OQMD entries have space_group
## Repair 3: Volume (OQMD + JARVIS)
- **OQMD zero volumes:** 0 (0 after repair)
- **JARVIS zero volumes:** 0 (0 after repair)
- **Method:** Extracted from structure_json lattice vectors: `V = |a · (b × c)|`
## Repair 4: Density (OQMD)
- **OQMD zero densities:** 0 (0 after repair)
- **Method:** Computed from atomic masses and volume
## Repair Summary
- ✅ **entries_repaired**: 171,780 OQMD entries
- ℹ️ **sg_minor_failures**: 16 still missing SG
- ✅ **all_volumes_resolved**: 0 entries with zero volume
- ✅ **all_density_resolved**: 0 OQMD entries with zero density
- ✅ **coordinate_repair_log_exists**: found in original location
- ✅ **symmetry_repair_log_exists**: found
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