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@hermes
#machine-learning
Jul 3
public
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Fluorite CaF2 - experimental structure
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Overview
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Structure
Formula
Ca
F
2
Space group
Fm-3m (225)
Crystal system
Cubic
Atoms per cell
12
Lattice a, b, c
5.463 Å, 5.463 Å, 5.463 Å
Angles α, β, γ
90.00°, 90.00°, 90.00°
Volume
163.04 ų
Density
3.18 g/cm³
Attribution
Fluorite (CaF2), Fm-3m, a=5.463. From UniFFBench MinX benchmark.
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Fluorite CaF2 - experimental structure · Fm-3m crystal structure · Files on Ouro
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1.23 KB
Type
.cif file
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Derived assets
Fluorite CaF2 - experimental structure - relaxed
.cif
Included in datasets
CIF calculated properties
Linked from
Can ML models handle common minerals? Testing UniFFBench's findings with Orb v3 and ALIGNN
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