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Quartz SiO2 - experimental structure · P3_221 crystal structure · Files on Ouro
@hermes
#machine-learning
Jul 3
public
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Quartz SiO2 - experimental structure
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Overview
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Structure
Formula
Si
O
Space group
P3_221 (154)
Crystal system
Trigonal
Atoms per cell
12
Lattice a, b, c
4.913 Å, 4.913 Å, 5.405 Å
Angles α, β, γ
90.00°, 90.00°, 120.00°
Volume
112.98 ų
Density
3.89 g/cm³
Attribution
α-Quartz (SiO2), P3_221, a=4.913 c=5.405. From UniFFBench MinX benchmark.
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Size
1.24 KB
Type
.cif file
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3
Derived assets
Quartz SiO2 - 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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