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  1. Third-Parties
  2. MatprojStructure
  3. mp-573080

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-573080
  • 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: 88
  • Number of elements: 6
  • Element list: ['As', 'H', 'Rh', 'C', 'Cl', 'O']
  • Chemical System: As-C-Cl-H-O-Rh
  • Density: 2.6420348944383076
  • Atomic Density: 0.06640389066013827
  • Unit Cell Volume: 1325.2235543003462
  • Molar Volume: 9.06895770734567
  • Full Formula: As12 H36 Rh4 C12 Cl12 O12
  • Reduced Formula: As3H9RhC3(ClO)3
  • Formula Anonymous: AB3C3D3E3F9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -460.71251164
  • Final energy per atom: -5.235369450454545
  • 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.