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  1. Third-Parties
  2. MatprojStructure
  3. mp-555813

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-555813
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 5
  • Element list: ['H', 'Rh', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Rh
  • Density: 1.6516977733788218
  • Atomic Density: 0.08673880615948257
  • Unit Cell Volume: 1291.232897465419
  • Molar Volume: 6.9428448772137505
  • Full Formula: H48 Rh4 C32 N4 O24
  • Reduced Formula: H12RhC8NO6
  • Formula Anonymous: ABC6D8E12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -710.16978864
  • Final energy per atom: -6.340801684285714
  • 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.