README.md

---
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.