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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202148

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-1202148
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 196
  • Number of elements: 6
  • Element list: ['B', 'P', 'H', 'Rh', 'C', 'F']
  • Chemical System: B-C-F-H-P-Rh
  • Density: 1.6279896458212915
  • Atomic Density: 0.08845014852262185
  • Unit Cell Volume: 2215.9374887863687
  • Molar Volume: 6.808514016751243
  • Full Formula: B2 P8 H72 Rh2 C72 F40
  • Reduced Formula: BP4H36Rh(C9F5)4
  • Formula Anonymous: ABC4D20E36F36
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1162.74356757
  • Final energy per atom: -5.932365140663266
  • 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.