Formula Ca4C4O12
Reduced formula CaCO3
Stoichiometry ABC3
Number of species 3
Number of atoms 20
Unique ID 7
Unit cell volume [Å3] 217.164
Band gap (PBE) [eV] 4.583
ICSD number 150
Number of species 3
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.900 0.000 0.104 Yes
2 0.000 4.921 0.000 Yes
3 -2.174 0.000 7.441 Yes
Lengths [Å] 5.901 4.921 7.752
Angles [°] 90.000 105.273 90.000
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