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Jun 29

Nb3AlCr3Sb phase diagram

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Nb3AlCr3Sb phase diagram · Files on Ouro

Jun 29

Nb3AlCr3Sb phase diagram

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Created by route

Calculate energy above the convex hull

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template-Nb3AlCr3Sb - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -67.3020 eV; energy change = -0.1968 eV; symmetry: R3 → R3

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Phase diagram of Nb3AlCr3Sb with Orb v3 conservative inf MPA; e_above_hull: 0.156224 eV/atom; predicted_stable: False

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Size: 4.65 MB
Type: .html file
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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Nb3AlCr3Sb - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -67.3020 eV; energy change = -0.1968 eV; symmetry: R3 → R3