Predicted powder colour (sRGB hex and CIE L*a*b* under D65) for eight known pigments under five band-gap treatments, plus five YInMn-family cells. One row per pigment and method, with the gap that method used and the measured gap. ABACUS v3.10.1 LCAO (DZP) with PYATB independent-particle optics, Kubelka-Munk with a 1 micron scattering length.
| Column | Range | Mean | Filled |
|---|---|---|---|
| pigment | 13 distinct | — | 100% |
| real_colour | 9 distinct | — | 100% |
| measured_gap_ev | 1.5–3.03 | 2.24 | 89% |
| method | 7 distinct | — | 100% |
| gap_ev | 0–3.03 | 1.963 | 100% |
| hex | 42 distinct | — | 100% |
| lab_l | 16.5–100 | 63.62 | 100% |
| lab_a | -24.4–49 | 3.082 | 100% |
| lab_b | -1.7–112.3 | 37.86 | 100% |