Jul 29

Li6PS5Cl argyrodite experimental reference (F-43m)

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Overview

2727

Structure

Formula: Li₆PS₅Cl
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 52

Structure

Formula: Li₆PS₅Cl
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 52

Lattice a, b, c

10.020 Å, 10.020 Å, 10.020 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

1006.01 Å³

Density

1.77 g/cm³

Attribution

Connections

4

Derived assets

Linked from

Experimental Li-P-S structures under three MLIPs: Orb v3 and MACE-MP collapse argyrodite F-43m to P1, CHGNet holds

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Experimental argyrodite Li6PS5Cl structure (F-43m, a=10.02 Å, 52 atoms) constructed from Kraft et al. crystallographic data. Reference for Orb v3 symmetry preservation test vs GGen-generated P1 structure.

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Size: 3.1 KB
Type: .cif file
Downloads: 2

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Connections

4

Derived assets

Linked from

Experimental Li-P-S structures under three MLIPs: Orb v3 and MACE-MP collapse argyrodite F-43m to P1, CHGNet holds

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Overview

Li6PS5Cl argyrodite experimental reference (F-43m)

Overview

Structure

Structure

Attribution

Connections

Derived assets

Linked from

Available for this file

Stats

Connections

Derived assets

Linked from

Available for this file

Data

Data