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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210934

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-1210934
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 4
  • Element list: ['Li', 'Zn', 'In', 'F']
  • Chemical System: F-In-Li-Zn
  • Density: 4.456062242661174
  • Atomic Density: 0.08019543576788185
  • Unit Cell Volume: 336.67751464246624
  • Molar Volume: 7.509331051495899
  • Full Formula: Li3 Zn3 In3 F18
  • Reduced Formula: LiZnInF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -128.33172697999998
  • Final energy per atom: -4.753026925185185
  • 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.