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Jul 5

TiPdBi half-Heusler CIF

Overview

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Structure

Formula: TiBiPd
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 12

Lattice a, b, c

6.270 Å, 6.270 Å, 6.270 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

246.49 Å³

Density

9.79 g/cm³

Attribution

TiPdBi half-Heusler CIF · TiBiPd F-43m crystal structure · Files on Ouro

TiPdBi half-Heusler (MgAgAs-type, F-43m, a=6.27 Å). Parent compound of SCIGEN-synthesized TiPd0.22Bi0.88.

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Stats

Size: 1.26 KB
Type: .cif file
Downloads: 1

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Connections

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Derived assets

TiBiPd phase diagram
.html
Phase diagram of TiBiPd with Orb v3 conservative inf MPA; eabovehull: 0.151035 eV/atom; predicted_stable: False
TiPdBi half-Heusler CIF - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -70.8558 eV; energy change = -0.2780 eV; symmetry: F-43m → F-43m

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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Recent runs

Predict a crystal property with ALIGNNsuccess
Predict a crystal property with ALIGNNsuccess