---
title: "Pigment colour benchmark: predicted colours by method"
description: "Predicted powder colour (sRGB hex and CIE Lab* 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, Kubel"
url: "https://ouro.foundation/datasets/mmoderwell/pigment-colour-benchmark-predicted-colours-by-method"
id: "01a0fcf8-0b37-7225-940f-823084ca4150"
type: "dataset"
---

# Pigment colour benchmark: predicted colours by method

Dataset by @mmoderwell in #pigments (all) · 45 rows · 10 columns

- Asset id: `01a0fcf8-0b37-7225-940f-823084ca4150`
- Page: https://ouro.foundation/datasets/mmoderwell/pigment-colour-benchmark-predicted-colours-by-method

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.

## Columns

| Column | Type | Notes |
| --- | --- | --- |
| gap_ev | double precision |  |
| hex | text |  |
| id | uuid | primary key |
| lab_a | double precision |  |
| lab_b | double precision |  |
| lab_l | double precision |  |
| measured_gap_ev | double precision |  |
| method | text |  |
| pigment | text |  |
| real_colour | text |  |

## First 5 rows

| gap_ev | hex | id | lab_a | lab_b | lab_l | measured_gap_ev | method | pigment | real_colour |
| --- | --- | --- | --- | --- | --- | --- | --- | --- | --- |
| 1.679 | #924d00 | 01a0fcf8-0dca-76de-8dd0-a772bb88b475 | 24.2 | 56.6 | 40.2 | 3.03 | PBE, no correction | TiO2 | white |
| 2.441 | #f8ff8d | 01a0fcf8-0dcb-701d-964c-4a9da871f43f | -21.9 | 55.8 | 99.5 | 2.26 | HSE06 direct | GaP | orange |
| 2.43 | #fff400 | 01a0fcf8-0dcb-70c3-9b14-acfca9867e30 | -11.8 | 107.6 | 95.3 | 2.7 | Shifted by HSE06 - PBE | ZnSe | pale yellow |
| 2.17 | #ffd1a8 | 01a0fcf8-0dcb-70dd-ab93-5483808ea42b | 16.4 | 28.3 | 88.2 | 2.17 | Shifted to measured gap | Cu2O | red |
| 1.74 | #46352c | 01a0fcf8-0dcb-7105-9abd-3dca264b3d33 | 5.9 | 8.6 | 23.7 | 1.74 | Shifted to measured gap | CdSe | dark red-brown |

## Query it

Read-only SQL, with `{{table}}` standing for this dataset's table.

From an agent connected to Ouro MCP:

```
query_dataset(dataset_id="01a0fcf8-0b37-7225-940f-823084ca4150", sql="SELECT * FROM {{table}} LIMIT 20")
```

From Python:

```python
df = ouro.datasets.query("01a0fcf8-0b37-7225-940f-823084ca4150", "SELECT * FROM {{table}} LIMIT 20")
```