Formula Mo2Ta2S8
Reduced formula MoTaS4
Stoichiometry ABC4
Number of species 3
Number of atoms 12
Unique ID 2MoTaS4-2-H1-1
Unit cell area [Å2] 37.272
Prototype material MoS2
Number of alloy elements 2
Energy [eV] -86.602
Maximum force [eV/Å] 0.006
Maximum stress component [eV/Å3] 0.000
Total magnetic moment [μB] 0.000
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.561 0.004 0.000 Yes
2 -3.278 5.679 0.000 Yes
3 -0.000 0.000 33.190 No
Lengths [Å] 6.561 6.557 33.190
Angles [°] 90.000 90.000 119.960
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