Structure
Basic information
Pretty formula | Na2Ca29ZrSi16(O7F2)8 |
Full formula | Na2Ca29Zr1Si16O56F16 |
Tags | |
Constituent elements | Ca; F; Na; O; Si; Zr; |
Number of elements | 6 |
Number of sites | 120 |
Volume | 1,770.09085 Å3 |
Density | 2.76627 g/cm3 |
Source | Materials Project |
Space group
Spacegroup Number | 1 |
Hermann Mauguin | P1 |
Hall | P 1 |
Crystal System | Triclinic |
Calculated Energies
Total energy | Energy per atom | Formation energy per atom | Band gap | Total magnetization | Energy above hull |
---|---|---|---|---|---|
-797.07827 eV | -6.64232 eV | -3.17788 eV | 2.30140 eV | -0.00013 eV | 0.43749 eV |