Jun 24

Mo2AlC_GGA+.cif 2

Name: Mo2AlC_GGA+.cif 2
Creator: kalantarian
Published: 2026-06-24T16:44:57.158+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

Data Docs Logs

Overview

1010

Attribution

Connections

2

Derived assets

Mo2AlC_GGA+.cif 2 - geometry optimization report
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.01 eV/Å threshold; final energy = -70.5420 eV; ΔE = -0.0133 eV; symmetry: P63/mmc → P63/mmc

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

Available for this file

Attribution

ARR license

10

Stats

Size: 1.2 KB
Type: .cif file
Downloads: 3

Join to comment

44

Connections

2

Derived assets

Mo2AlC_GGA+.cif 2 - geometry optimization report
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.01 eV/Å threshold; final energy = -70.5420 eV; ΔE = -0.0133 eV; symmetry: P63/mmc → P63/mmc

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