LeMaterial

LeMat-Bulk-MLIP-Formation-Energies

Formation energies for LeMat-Bulk computed with multiple ML interatomic potentials (MLIPs) — used to benchmark MLIPs and to derive MLIP-based stability estimates.

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Rows: 1,963,514
On disk: 182 MB
Downloads: 24
Updated: Sep 28

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Column statistics

How the columns are distributed

Over 1,963,514 rows of default/train

data_dataset_pos

int

min: 0
median: 982k
mean: 982k
max: 2.0M

formation_energy

float

LeMat-Bulk-MLIP-Formation-Energies

How the columns are distributed

data_dataset_pos

formation_energy

formation_energy_per_atom

immutable_id

mace_mp_energy

mace_omat_energy

nsites

orb_energy

species_at_sites

true_energy

uma_energy