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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197093

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-1197093
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 106
  • Number of elements: 5
  • Element list: ['K', 'Ga', 'P', 'O', 'F']
  • Chemical System: F-Ga-K-O-P
  • Density: 3.084674867539351
  • Atomic Density: 0.06594652602615671
  • Unit Cell Volume: 1607.3629103367275
  • Molar Volume: 9.131854432500974
  • Full Formula: K8 Ga16 P16 O64 F2
  • Reduced Formula: K4Ga8P8O32F
  • Formula Anonymous: AB4C8D8E32
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -730.2093243300001
  • Final energy per atom: -6.888767210660378
  • 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.