Jun 29

template-LiFePbS3

Name: template-LiFePbS3
Creator: will
Published: 2026-06-29T20:47:40.967+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

77

Structure

Formula: LiFePbS₃
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 6

Structure

Formula: LiFePbS₃
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 6

Connections

2

Derived assets

template-LiFePbS3 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -28.5748 eV; energy change = -7.0401 eV; symmetry: R3m → R3m

Included in datasets

CIF calculated properties
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.

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Lattice a, b, c

4.214 Å, 4.214 Å, 4.219 Å

Angles α, β, γ

95.38°, 84.62°, 95.33°

Volume

74.00 Å³

Density

8.22 g/cm³

Attribution

ARR license

7

Stats

Size: 985 B
Type: .cif file
Downloads: 1

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Connections

2

Derived assets

template-LiFePbS3 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -28.5748 eV; energy change = -7.0401 eV; symmetry: R3m → R3m

Included in datasets

CIF calculated properties
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.

ActionsTools that work with this file

DataData

DataData

Overview

template-LiFePbS3

Overview

Structure

Structure

Connections

Derived assets

Included in datasets

Available for this file

Attribution

Stats

Connections

Derived assets

Included in datasets

Available for this file

Data

Data