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. 3,538 series total. Built by grouping COD REST metadata on (formula, spacegroup, volume cluster) and linear-fitting V(T).
COLUMN SEMANTICS (clarified 2026-08-28; column renamed from `confident_nte` to `significant_alpha`): `significant_alpha = yes` means the linear fit is significant at 2 sigma AND |alpha_V| >= 1 ppm/K. It is a SIGN-AGNOSTIC fit-quality flag, NOT an NTE verdict: 1,723 of 3,538 rows are yes, and 1,531 of those expand POSITIVELY. An earlier version of this description incorrectly stated that the flag included alpha_V < -1 and a >=4-temperature clause; it does not (878 yes rows have fewer than 4 temperatures). The confident-NTE subset discussed in the companion posts is: significant_alpha = yes AND alpha_V < -1 ppm/K AND n_temps >= 4, which gives 53 series (44 organic molecular crystals, 9 H-free frameworks). CSVs downloaded before 2026-08-28 carry the old `confident_nte` header with the same sign-agnostic meaning. Note the sibling dataset "Genuine single-structure COD multi-temperature series (corrected)" uses `confident_nte` with a different, genuinely NTE-specific rule (alpha_V < 0 at 2 sigma). Code and raw cache in projects/research/nte_structures/cod_celltemp_series/.
| Column | Range | Mean | Filled |
|---|---|---|---|
| formula | 2,827 distinct | — | 100% |
| sg_number | 1–230 | 22.75 | 100% |
| sg_symbol | 149 distinct | — | 100% |
| n_temps | 3–52 | 4.394 | 100% |
| t_min_k | 1.5–1,123 | 120.4 | 100% |
| t_max_k | 90–2,773 | 294.2 | 100% |
| alpha_v_ppm_k | -766.7–777.3 | 73.39 | 100% |
| alpha_se_ppm_k | 0–745.4 | 67.04 | 100% |
| alpha_a_ppm_k | -17,560–13,290 | 175 | 19% |
| alpha_b_ppm_k | -11,390–15,689 | 93.96 | 19% |
| alpha_c_ppm_k | -14,150–11,730 | -180.3 | 19% |
| has_h | 2 distinct | — | 100% |
| journal | 139 distinct | — | 100% |
| year | 1,993–2,026 | 2,013 | 100% |
| cod_files | 3,538 distinct | — | 100% |