File size: 1,759 Bytes
24761c8 b83ea76 24761c8 b83ea76 24761c8 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 | ---
dataset_info:
features:
- name: material_id
dtype: string
- name: source
dtype: string
- name: model
dtype: string
- name: condition
struct:
- name: chemical_system
dtype: string
- name: dft_band_gap
dtype: float64
- name: dn
dtype: float64
- name: energy_above_hull
dtype: float64
- name: k_1064
dtype: float64
- name: k_1500
dtype: int64
- name: space_group
dtype: int64
- name: formula
dtype: string
- name: reduced_formula
dtype: string
- name: chemical_system
dtype: string
- name: spacegroup
dtype: string
- name: spacegroup_number
dtype: int64
- name: relaxation_energy_mattersim
dtype: float64
- name: mace_dn
dtype: float64
- name: mace_k_diag_avg
dtype: float64
- name: cluster_id
dtype: int64
- name: unique_elements
list: string
- name: structure_mattersim
dtype: string
- name: energy_above_hull
dtype: float64
- name: is_stable
dtype: bool
- name: is_unique
dtype: bool
- name: is_novel
dtype: bool
- name: S.U.N.
dtype: bool
- name: matches
list: string
- name: self_matches
list: int64
splits:
- name: train
num_bytes: 8336605906
num_examples: 2395638
download_size: 4388333754
dataset_size: 8336605906
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
---
Combination of `xpanceo-team/dn-k-generated` and `xpanceo-team/dn-k-generated` datasets by 27.01.2026.
"energy_above_hull" columns contains unified ehull with `build_hull_from_reference_only=True` parameter.
The "source" column contains either `crystal-diffusers` or `mattergen`, depending on the dataset the row comes from. |