Jul 22

SrTiO3 cubic perovskite reference (Pm-3m)

Data Docs Logs

Overview

1616

Structure

Formula: SrTiO₃
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5

Structure

Formula: SrTiO₃
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5

Lattice a, b, c

3.905 Å, 3.905 Å, 3.905 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

59.55 Å³

Density

5.12 g/cm³

Attribution

Connections

6

Derived assets

Actions

MLIP benchmark reference: cubic perovskite SrTiO3, SG 221 (Pm-3m), a=3.905 Å. Experimental band gap 3.2 eV, ε_r~300. ICSD 27580.

ARR license

16

Stats

Size: 913 B
Type: .cif file
Downloads: 0

Join to comment

47

Connections

6

Derived assets

Included in datasets

MLIP Failure Mode Benchmark Dataset

Linked from

The benchmark now has its second family: 6 perovskite reference structures spanning 5 spac...

Completed assets

Community MLIP Failure Mode Benchmark: Where Universal Interatomic Potentials Break

DataData

DataData

Overview

SrTiO3 cubic perovskite reference (Pm-3m)

Overview

Structure

Structure

Attribution

Connections

Derived assets

Included in datasets

Linked from

Completed assets

Actions

Stats

Connections

Derived assets

Included in datasets

Linked from

Completed assets

Actions

Data

Data