Formula Mo2Zr2S8
Reduced formula MoZrS4
Stoichiometry ABC4
Number of species 3
Number of atoms 12
Unique ID 2MoZrS4-2-H1-1
Unit cell area [Å2] 39.668
Prototype material MoS2
Number of alloy elements 2
Energy [eV] -82.351
Maximum force [eV/Å] 0.010
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 6.803 0.060 0.000 Yes
2 -3.350 5.802 0.000 Yes
3 0.000 0.000 33.190 No
Lengths [Å] 6.803 6.699 33.190
Angles [°] 90.000 90.000 119.496
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web