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  1. Third-Parties
  2. MatprojStructure
  3. mp-605173

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-605173
  • 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: 88
  • Number of elements: 6
  • Element list: ['As', 'H', 'Rh', 'C', 'Br', 'O']
  • Chemical System: As-Br-C-H-O-Rh
  • Density: 3.1873135627196327
  • Atomic Density: 0.06393461189766397
  • Unit Cell Volume: 1376.406259270893
  • Molar Volume: 9.419218450311789
  • Full Formula: As12 H36 Rh4 C12 Br12 O12
  • Reduced Formula: As3H9RhC3(BrO)3
  • Formula Anonymous: AB3C3D3E3F9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -453.69163246
  • Final energy per atom: -5.1555867325
  • 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.