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  1. Third-Parties
  2. MatprojStructure
  3. mp-558769

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-558769
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'Th', 'F']
  • Chemical System: F-Li-Na-Th
  • Density: 5.963022066724881
  • Atomic Density: 0.07604012278306091
  • Unit Cell Volume: 1157.283770451819
  • Molar Volume: 7.9196883692322535
  • Full Formula: Na6 Li8 Th12 F62
  • Reduced Formula: Na3Li4Th6F31
  • Formula Anonymous: A3B4C6D31
  • Spacegroup Number: 158
  • Spacegroup Symbol: P3c1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -587.47408867
  • Final energy per atom: -6.675841916704545
  • 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.