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  1. Third-Parties
  2. MatprojStructure
  3. mp-684010

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-684010
  • 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: 180
  • Number of elements: 5
  • Element list: ['K', 'Ti', 'P', 'O', 'F']
  • Chemical System: F-K-O-P-Ti
  • Density: 2.710071924315754
  • Atomic Density: 0.06331044833423076
  • Unit Cell Volume: 2843.132606639233
  • Molar Volume: 9.512080420292873
  • Full Formula: K32 Ti20 P8 O32 F88
  • Reduced Formula: K8Ti5P2(O4F11)2
  • Formula Anonymous: A2B5C8D8E22
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1178.54051275
  • Final energy per atom: -6.547447293055556
  • 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.