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  1. Third-Parties
  2. MatprojStructure
  3. mp-752560

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-752560
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Na', 'Li', 'V', 'O', 'F']
  • Chemical System: F-Li-Na-O-V
  • Density: 3.069991295956298
  • Atomic Density: 0.08578064579684731
  • Unit Cell Volume: 326.4139566670071
  • Molar Volume: 7.020395689561632
  • Full Formula: Na4 Li4 V4 O8 F8
  • Reduced Formula: NaLiV(OF)2
  • Formula Anonymous: ABCD2E2
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -180.54470433
  • Final energy per atom: -6.448025154642857
  • 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.