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  1. Third-Parties
  2. MatprojStructure
  3. mp-861683

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-861683
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Mn', 'As', 'H', 'O']
  • Chemical System: As-H-Mn-O
  • Density: 3.53446553747444
  • Atomic Density: 0.09160703544134052
  • Unit Cell Volume: 698.6362967829217
  • Molar Volume: 6.573884561362328
  • Full Formula: Mn12 As4 H16 O32
  • Reduced Formula: Mn3As(HO2)4
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -451.93811601
  • Final energy per atom: -7.06153306265625
  • 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.