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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226312

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-1226312
  • 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: 18
  • Number of elements: 4
  • Element list: ['Cs', 'Li', 'V', 'F']
  • Chemical System: Cs-F-Li-V
  • Density: 3.6416653332992928
  • Atomic Density: 0.060400399066888245
  • Unit Cell Volume: 298.01127605244045
  • Molar Volume: 9.970365846972298
  • Full Formula: Cs2 Li1 V3 F12
  • Reduced Formula: Cs2LiV3F12
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -112.05854264
  • Final energy per atom: -6.225474591111111
  • 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.