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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222639

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-1222639
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Mn', 'Zn', 'As', 'O']
  • Chemical System: As-Mn-O-Zn
  • Density: 3.2748425782208446
  • Atomic Density: 0.06310378102935903
  • Unit Cell Volume: 285.24439750488966
  • Molar Volume: 9.543232848754657
  • Full Formula: Mn3 Zn2 As1 O12
  • Reduced Formula: Mn3Zn2AsO12
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -114.51349416
  • Final energy per atom: -6.361860786666666
  • 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.