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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196541

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-1196541
  • 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: 116
  • Number of elements: 6
  • Element list: ['K', 'Li', 'Zr', 'H', 'O', 'F']
  • Chemical System: F-H-K-Li-O-Zr
  • Density: 3.072427719716823
  • Atomic Density: 0.06518785877689659
  • Unit Cell Volume: 1779.4724688995598
  • Molar Volume: 9.238132488153338
  • Full Formula: K20 Li2 Zr12 H8 O4 F70
  • Reduced Formula: K10LiZr6H4O2F35
  • Formula Anonymous: AB2C4D6E10F35
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -708.27811133
  • Final energy per atom: -6.105845787327587
  • 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.