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  1. Third-Parties
  2. MatprojStructure
  3. mp-695994

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-695994
  • 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: 80
  • Number of elements: 4
  • Element list: ['Mn', 'As', 'H', 'O']
  • Chemical System: As-H-Mn-O
  • Density: 3.1313144731083353
  • Atomic Density: 0.08858124453739934
  • Unit Cell Volume: 903.125717162663
  • Molar Volume: 6.79843774091188
  • Full Formula: Mn8 As8 H24 O40
  • Reduced Formula: MnAsH3O5
  • Formula Anonymous: ABC3D5
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -520.0848859
  • Final energy per atom: -6.50106107375
  • 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.