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  1. Third-Parties
  2. MatprojStructure
  3. mp-651434

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-651434
  • 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: 152
  • Number of elements: 4
  • Element list: ['K', 'Mn', 'Mo', 'O']
  • Chemical System: K-Mn-Mo-O
  • Density: 3.555404569490222
  • Atomic Density: 0.06091040979026426
  • Unit Cell Volume: 2495.4683530022025
  • Molar Volume: 9.886882686779364
  • Full Formula: K16 Mn16 Mo24 O96
  • Reduced Formula: K2Mn2(MoO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 54
  • Spacegroup Symbol: Pcca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1224.0378715000002
  • Final energy per atom: -8.052880733552632
  • 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.