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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229246

Entry Data

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-1229246
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 99
  • Number of elements: 7
  • Element list: ['B', 'P', 'H', 'Ir', 'C', 'O', 'F']
  • Chemical System: B-C-F-H-Ir-O-P
  • Density: 1.6562377825250278
  • Atomic Density: 0.09240866960649097
  • Unit Cell Volume: 1071.3280520277726
  • Molar Volume: 6.516856898432172
  • Full Formula: B2 P6 H60 Ir2 C18 O3 F8
  • Reduced Formula: B2P6H60Ir2C18O3F8
  • Formula Anonymous: A2B2C3D6E8F18G60
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -523.2679068799999
  • Final energy per atom: -5.285534412929293
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.