91 card runs: 13 realistic CIF-authoring corruptions x 4 known-good controls (NaCl, ZnS, MgAl2O4, CaTiO3), with and without a declared prototype gate. Outcome per run: caught_fail / caught_check / parser_rejected / missed / missed_benign. Sanity card v4.2. Battery code + CIFs in projects/research/structure_sanity_card/corruption_battery/.
| control | outcome | tight_sg | top_note | corruption | min_pair_a | description |
|---|---|---|---|---|---|---|
| NaCl | caught_check | P4mm | Symmetry is FRAGILE: transitions at 0.01Å→P4mm, 0.20Å→Fm-3m. Tight: P4mm, loose: Fm-3m. The tight-tolerance result may reflect noise, not true symmetry. | decimal-slip | 2.6508 | one coordinate off by 0.03 (digit typo) |
| NaCl | caught_check | P4mm | Symmetry is FRAGILE: transitions at 0.01Å→P4mm, 0.20Å→Fm-3m. Tight: P4mm, loose: Fm-3m. The tight-tolerance result may reflect noise, not true symmetry. | decimal-slip | 2.6508 | one coordinate off by 0.03 (digit typo) |
| NaCl | caught_check | P-43m | Minimum pair distance 1.015 Å is short. Inspect atoms (0, 5, 'Na', 'Cl'). | frac-as-cart | 1.0152 | cartesian values written into fractional fields |
| NaCl | caught_check | P-43m | Minimum pair distance 1.015 Å is short. Inspect atoms (0, 5, 'Na', 'Cl'). | frac-as-cart | 1.0152 | cartesian values written into fractional fields |
| NaCl | caught_check | Immm | Prototype gate: point set does not match declared rocksalt. Wrong prototype, wrong setting, or severe distortion. | cell-shear-10deg | 2.82 | gamma 10 deg off, coords frozen (wrong lattice type) |
| NaCl | missed | Immm | cell-shear-10deg | 2.82 | gamma 10 deg off, coords frozen (wrong lattice type) | |
| NaCl | caught_fail | Fm-3m | Minimum pair distance 0.282 Å is physically impossible. Atoms (0, 5, 'Na', 'Cl') are overlapping. Structure is corrupted. | nm-as-angstrom | 0.282 | cell parameters in nm, read as angstrom |
| NaCl | caught_fail | Fm-3m | Minimum pair distance 0.282 Å is physically impossible. Atoms (0, 5, 'Na', 'Cl') are overlapping. Structure is corrupted. | nm-as-angstrom | 0.282 | cell parameters in nm, read as angstrom |
| NaCl | caught_check | Immm | Prototype gate: point set does not match declared rocksalt. Wrong prototype, wrong setting, or severe distortion. | wrong-angle-hex | 2.82 | gamma 90->120 (hexagonal template on orthorhombic/cubic cell) |
| NaCl | missed | Immm | wrong-angle-hex | 2.82 | gamma 90->120 (hexagonal template on orthorhombic/cubic cell) | |
| NaCl | caught_check | Pm-3m | Prototype gate: point set does not match declared rocksalt. Wrong prototype, wrong setting, or severe distortion. | missing-site | 2.82 | one anion site dropped from the loop |
| NaCl | missed | Pm-3m | missing-site | 2.82 | one anion site dropped from the loop |