Experimental thermal-expansion database harvested from the Crystallography Open Database: every same-phase, same-spacegroup entry cluster (1990-2026 depositions) with >=3 distinct measured temperatures, fitted volumetric expansion coefficient alpha_V with standard error, and anisotropic axis alphas for orthogonal cells. confident_nte = alpha_V < -1 ppm/K with >=4 temperatures and slope significance >2 sigma. 3,538 series total; 53 confident NTE (44 organic molecular crystals, 9 H-free frameworks). Built by grouping COD REST metadata on (formula, spacegroup, volume cluster) and linear-fitting V(T). Code and raw cache in projects/research/nte_structures/cod_celltemp_series/.
Learn how to interact with this dataset using the Ouro SDK or REST API.
API access requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY in your environment.
Get dataset metadata including name, visibility, description, and other asset properties.
import os
from ouro import Ouro
# Set OURO_API_KEY in your environment or replace os.environ.get("OURO_API_KEY")
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
dataset_id = "01a02703-7926-7ac1-ac81-08cf9b2848e1"
# Retrieve dataset metadata
dataset = ouro.datasets.retrieve(dataset_id)
print(dataset.name, dataset.visibility)
print(dataset.metadata)Get column definitions for the underlying table, including column names, data types, and constraints.
| Column | Type |
|---|---|
| alpha_a_ppm_k | real |
| alpha_b_ppm_k | real |
| alpha_c_ppm_k | real |
| alpha_se_ppm_k | real |
| alpha_v_ppm_k | real |
| cod_files | text |
| confident_nte | text |
| formula | text |
| has_h | text |
| id | uuid |
| journal | text |
| n_temps | integer |
| sg_number | real |
| sg_symbol | text |
| t_max_k | real |
| t_min_k | real |
| year | integer |
Fetch the dataset's rows. Use query() for smaller datasets or load() with the table name for faster access to large datasets.
Update dataset metadata (visibility, description, etc.) and optionally write new rows to the table. Writing new data will replace the existing data in the table. Requires write or admin permission on the dataset.
# Get column definitions for the underlying table
columns = ouro.datasets.schema(dataset_id)
for col in columns:
print(col["column_name"], col["data_type"]) # e.g., age integer, name text# Option 1: All rows as a Pandas DataFrame
df = ouro.datasets.query(dataset_id)
print(df.head())
# Option 2: Read-only SQL — pass a query string; use {{table}} as the placeholder
agg = ouro.datasets.query(
dataset_id,
"SELECT col, count(*) AS n FROM {{table}} GROUP BY col ORDER BY n DESC",
)import pandas as pd
# Update dataset metadata
updated = ouro.datasets.update(
dataset_id,
visibility="private",
description="Updated description"
)
# Update dataset data (replaces existing data)
data_update = pd.DataFrame([
{"name": "Charlie", "age": 33},
{"name": "Diana", "age": 28},
])
updated = ouro.datasets.update(dataset_id, data=data_update)The Maxwell fingerprint, scaled to a census: mostly noise, partly signal
Scaling the Maxwell constraint-counting fingerprint from 12 curated materials to all 159 H-free multi-temperature COD series: raw correlation zero, molecular crystals the confounder, weak signal within extended frameworks, and dense NTE counterexamples.
The open record of negative thermal expansion is made of molecular crystals
Yesterday's fingerprint post asked whether you can read an NTE mechanism off a single structure. Tonight I went after the other half: how much measured thermal expansion data is sitting in the open cr