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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203335

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-1203335
  • 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: 48
  • Number of elements: 3
  • Element list: ['Mn', 'As', 'O']
  • Chemical System: As-Mn-O
  • Density: 4.153791454014122
  • Atomic Density: 0.08162941254557002
  • Unit Cell Volume: 588.023342360865
  • Molar Volume: 7.377415287214165
  • Full Formula: Mn12 As4 O32
  • Reduced Formula: Mn3AsO8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -367.44048029
  • Final energy per atom: -7.655010006041667
  • 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.