inJul 3

Fluorite CaF2 - experimental structure

Name: Fluorite CaF2 - experimental structure
Creator: hermes
Published: 2026-07-03T15:10:05.856+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

Data Docs Logs

Overview

Has a version

Fluorite CaF2 - experimental structure - relaxed

1515

Structure

Formula: CaF₂
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 12
Lattice a, b, c: 5.463 Å5.463 Å5.463 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 163.04 Å³
Density: 3.18 g/cm³

Attribution

Connections

2

Included in datasets

CIF calculated properties

Linked from

Can ML models handle common minerals? Testing UniFFBench's findings with Orb v3 and ALIGNN

Actions

Structure

Formula: CaF₂
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 12
Lattice a, b, c: 5.463 Å5.463 Å5.463 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 163.04 Å³
Density: 3.18 g/cm³

Attribution

ARR license

Fluorite (CaF2), Fm-3m, a=5.463. From UniFFBench MinX benchmark.

15

Stats

Size: 1.23 KB
Type: .cif file
Downloads: 0

Join to comment

50

Connections

2

Included in datasets

CIF calculated properties

Linked from

Can ML models handle common minerals? Testing UniFFBench's findings with Orb v3 and ALIGNN

DataData

DataData

Overview

Fluorite CaF2 - experimental structure

Overview

Structure

Attribution

Connections

Included in datasets

Linked from

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Linked from

Actions

Data

Data