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  1. Third-Parties
  2. MatprojStructure
  3. mp-753373

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-753373
  • 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: 6
  • Number of elements: 3
  • Element list: ['Li', 'V', 'F']
  • Chemical System: F-Li-V
  • Density: 2.8549002875168332
  • Atomic Density: 0.0770530800464005
  • Unit Cell Volume: 77.86839924357166
  • Molar Volume: 7.815574350011103
  • Full Formula: Li1 V1 F4
  • Reduced Formula: LiVF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -37.46685421
  • Final energy per atom: -6.2444757016666665
  • 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.