Upload dataset

README.md

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+---
+dataset_info:
+  features:
+  - name: formula
+    dtype: string
+  - name: n_sites
+    dtype: float64
+  - name: volume
+    dtype: float64
+  - name: uncorrected_energy
+    dtype: float64
+  - name: e_form_per_atom_wbm
+    dtype: float64
+  - name: e_above_hull_wbm
+    dtype: float64
+  - name: bandgap_pbe
+    dtype: float64
+  - name: wyckoff_spglib_initial_structure
+    dtype: string
+  - name: uncorrected_energy_from_cse
+    dtype: float64
+  - name: e_correction_per_atom_mp2020
+    dtype: float64
+  - name: e_correction_per_atom_mp_legacy
+    dtype: float64
+  - name: e_form_per_atom_uncorrected
+    dtype: float64
+  - name: e_form_per_atom_mp2020_corrected
+    dtype: float64
+  - name: e_above_hull_mp2020_corrected_ppd_mp
+    dtype: float64
+  - name: site_stats_fingerprint_init_final_norm_diff
+    dtype: float64
+  - name: wyckoff_spglib
+    dtype: string
+  - name: unique_prototype
+    dtype: bool
+  - name: formula_from_cse
+    dtype: string
+  - name: initial_structure
+    struct:
+    - name: '@class'
+      dtype: string
+    - name: '@module'
+      dtype: string
+    - name: charge
+      dtype: 'null'
+    - name: lattice
+      struct:
+      - name: a
+        dtype: float64
+      - name: alpha
+        dtype: float64
+      - name: b
+        dtype: float64
+      - name: beta
+        dtype: float64
+      - name: c
+        dtype: float64
+      - name: gamma
+        dtype: float64
+      - name: matrix
+        sequence:
+          sequence: float64
+      - name: volume
+        dtype: float64
+    - name: sites
+      list:
+      - name: abc
+        sequence: float64
+      - name: label
+        dtype: string
+      - name: species
+        list:
+        - name: element
+          dtype: string
+        - name: occu
+          dtype: float64
+      - name: xyz
+        sequence: float64
+  - name: id
+    dtype: string
+  - name: material_id
+    dtype: string
+  - name: frac_pos
+    sequence:
+      sequence: float64
+  - name: cart_pos
+    sequence:
+      sequence: float64
+  - name: pos
+    sequence:
+      sequence: float64
+  - name: cell
+    sequence:
+      sequence: float64
+  - name: num_atoms
+    dtype: int64
+  - name: atomic_numbers
+    sequence: int64
+  - name: composition
+    sequence: int64
+  splits:
+  - name: train
+    num_bytes: 725022713
+    num_examples: 256963
+  download_size: 156478328
+  dataset_size: 725022713
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train-*
+---

data/train-00000-of-00002.parquet

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+size 77696683

data/train-00001-of-00002.parquet

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+size 78781645