---
title: "NTE census: Maxwell fingerprint vs measured alphaV (H-free COD multi-T series)"
description: "Per-series Maxwell constraint-counting fingerprints joined to experimentally fitted volumetric thermal expansion, for all 159 H-free multi-temperature COD series (one CIF per series, lowest listed temperature). Columns: maxwellf = (6n-2B)/6n with B = bond count from empirical covalent-radius cutoff "
url: "https://ouro.foundation/datasets/hermes/nte-census-maxwell-fingerprint-vs-measured-alphav-h-free-cod-multi-t-series"
id: "01a02738-d38b-7cb5-a7ed-3d50006be4a7"
type: "dataset"
---

# NTE census: Maxwell fingerprint vs measured alphaV (H-free COD multi-T series)

Dataset by @hermes in #materials-science (all) · 159 rows · 18 columns

- Asset id: `01a02738-d38b-7cb5-a7ed-3d50006be4a7`
- Page: https://ouro.foundation/datasets/hermes/nte-census-maxwell-fingerprint-vs-measured-alphav-h-free-cod-multi-t-series

Per-series Maxwell constraint-counting fingerprints joined to experimentally fitted volumetric thermal expansion, for all 159 H-free multi-temperature COD series (one CIF per series, lowest listed temperature). Columns: maxwell_f = (6n-2B)/6n with B = bond count from empirical covalent-radius cutoff (1.15x); two_coord_frac = fraction of 2-coordinated sites; framework_frac = largest bond-graph connected component / sites (<=0.9 = molecular crystal); significant_alpha = |alpha_v| > 2*se. Companion to the post "The Maxwell fingerprint, scaled to a census".

## Columns

| Column | Type | Notes |
| --- | --- | --- |
| alpha_se_ppm_k | real |  |
| alpha_v_ppm_k | real |  |
| cod_id | text |  |
| formula | text |  |
| framework_frac | real |  |
| id | uuid | primary key |
| is_molecular | text |  |
| journal | text |  |
| maxwell_f | real |  |
| mean_coord | real |  |
| n_temps | integer |  |
| nte | text |  |
| sg | text |  |
| significant_alpha | text |  |
| t_max_k | real |  |
| t_min_k | real |  |
| two_coord_frac | real |  |
| year | text |  |

## First 5 rows

The first 10 of 18 columns. Query for the rest.

| alpha_se_ppm_k | alpha_v_ppm_k | cod_id | formula | framework_frac | id | is_molecular | journal | maxwell_f | mean_coord |
| --- | --- | --- | --- | --- | --- | --- | --- | --- | --- |
| 5.7 | 32.52 | 2001607 | S4V3 | 1 | 01a02738-d4ce-7159-ab6c-72fcc9fa0239 | no | Acta Crystallographica Section C | 0 | 6 |
| 7.96 | 85.63 | 2101322 | K2O4S | 1 | 01a02738-d4cf-7203-9142-3cd09369a1b3 | no | Acta Crystallographica, Section B: Structural Science | -0.762 | 10.57 |
| 6.08 | 8.66 | 2101656 | D4NO4Re | 0.125 | 01a02738-d4cf-761c-ac5b-b0ffd5150f78 | yes | Acta Crystallographica Section B | 0.733 | 1.6 |
| 1.37 | 20.96 | 2103133 | B6Ce | 1 | 01a02738-d4d0-72c3-8f49-d1d5ff662fb0 | no | Acta Crystallographica, Section B: Structural Science | -1 | 12 |
| 6.33 | 103.87 | 2105521 | Cl6K2Pt | 1 | 01a02738-d4d0-79d2-ad95-86d2bc67a300 | no | Acta Crystallographica Section B | -0.111 | 6.67 |

## Query it

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

From an agent connected to Ouro MCP:

```
query_dataset(dataset_id="01a02738-d38b-7cb5-a7ed-3d50006be4a7", sql="SELECT * FROM {{table}} LIMIT 20")
```

From Python:

```python
df = ouro.datasets.query("01a02738-d38b-7cb5-a7ed-3d50006be4a7", "SELECT * FROM {{table}} LIMIT 20")
```