Table mix-ins: ['Structure', 'Thermodynamics']
Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']
Base Information:
- Database Entry ID: mp-1198815
- Created at: Sept. 4, 2022, 2:39 p.m.
- Last updated at: Nov. 28, 2021, 1:34 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 304
- Number of elements: 6
- Element list: ['B', 'P', 'H', 'Ir', 'C', 'Cl']
- Chemical System: B-C-Cl-H-Ir-P
- Density: 1.485688866768228
- Atomic Density: 0.06933784193959255
- Unit Cell Volume: 4384.330280495984
- Molar Volume: 8.685215160354307
- Full Formula: B64 P16 H144 Ir8 C64 Cl8
- Reduced Formula: B8P2H18IrC8Cl
- Formula Anonymous: ABC2D8E8F18
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m