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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222552

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-1222552
  • 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: 38
  • Number of elements: 4
  • Element list: ['Li', 'Zn', 'In', 'F']
  • Chemical System: F-In-Li-Zn
  • Density: 4.087404619968569
  • Atomic Density: 0.08491144187521327
  • Unit Cell Volume: 447.5250821419944
  • Molar Volume: 7.0922606270780335
  • Full Formula: Li8 Zn2 In4 F24
  • Reduced Formula: Li4ZnIn2F12
  • Formula Anonymous: AB2C4D12
  • Spacegroup Number: 30
  • Spacegroup Symbol: Pnc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -186.65421049
  • Final energy per atom: -4.911952907631579
  • 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.