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  1. Third-Parties
  2. MatprojStructure
  3. mp-754362

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-754362
  • 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: 14
  • Number of elements: 3
  • Element list: ['Li', 'V', 'F']
  • Chemical System: F-Li-V
  • Density: 2.47686155692653
  • Atomic Density: 0.07110319285204822
  • Unit Cell Volume: 196.89692457455814
  • Molar Volume: 8.469578535707802
  • Full Formula: Li3 V2 F9
  • Reduced Formula: Li3V2F9
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -85.05394398000001
  • Final energy per atom: -6.0752817128571435
  • 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.