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  1. Third-Parties
  2. MatprojStructure
  3. mp-14458

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-14458
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'Cr', 'F']
  • Chemical System: Cr-F-Li-Na
  • Density: 2.832375214156366
  • Atomic Density: 0.0808836590428331
  • Unit Cell Volume: 989.0749373446973
  • Molar Volume: 7.445435618597434
  • Full Formula: Na12 Li12 Cr8 F48
  • Reduced Formula: Na3Li3Cr2F12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -458.86394639
  • Final energy per atom: -5.735799329875
  • 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.