Structure
Basic information
Pretty formula | Ba4Na3Nd3P6(O12F)2 |
Full formula | Ba8Na6Nd6P12O48F4 |
Tags | |
Constituent elements | Ba; F; Na; Nd; O; P; |
Number of elements | 6 |
Number of sites | 84 |
Volume | 1,225.80787 Å3 |
Density | 4.49426 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 |
---|---|---|---|---|---|
-603.13210 eV | -7.18014 eV | -3.30358 eV | 4.85800 eV | 0.00042 eV | 0.00000 eV |