Structure
Basic information
Pretty formula | Ca10Ti8NbFeO30 |
Full formula | Ca20Ti16Nb2Fe2O60 |
Tags | |
Constituent elements | Ca; Fe; Nb; O; Ti; |
Number of elements | 5 |
Number of sites | 100 |
Volume | 1,161.87284 Å3 |
Density | 4.03732 g/cm3 |
Source | Materials Project |
Space group
Spacegroup Number | 2 |
Hermann Mauguin | P-1 |
Hall | -P 1 |
Crystal System | Triclinic |
Calculated Energies
Total energy | Energy per atom | Formation energy per atom | Band gap | Total magnetization | Energy above hull |
---|---|---|---|---|---|
-797.62691 eV | -7.97627 eV | -3.45600 eV | 2.04990 eV | 10.00374 eV | 0.00000 eV |