Jun 29

template-BaCoO3

Name: template-BaCoO3
Creator: will
Published: 2026-06-29T22:12:59.245+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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2

Derived assets

template-BaCoO3 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -119.7844 eV; energy change = -0.3688 eV; symmetry: P6_3/mmc → Ama2

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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ARR license

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Size: 1.69 KB
Type: .cif file
Downloads: 0

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44

Connections

2

Derived assets

template-BaCoO3 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -119.7844 eV; energy change = -0.3688 eV; symmetry: P6_3/mmc → Ama2

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