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  1. Third-Parties
  2. MatprojStructure
  3. mp-27674

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-27674
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['K', 'As', 'O']
  • Chemical System: As-K-O
  • Density: 2.9593491258187212
  • Atomic Density: 0.055284608383105886
  • Unit Cell Volume: 1302.351632864276
  • Molar Volume: 10.892978961284044
  • Full Formula: K20 As12 O40
  • Reduced Formula: K5As3O10
  • Formula Anonymous: A3B5C10
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -421.39656662
  • Final energy per atom: -5.852730091944444
  • 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.