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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223007

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-1223007
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['La', 'Th', 'O', 'F']
  • Chemical System: F-La-O-Th
  • Density: 6.7527401361068
  • Atomic Density: 0.07040373567115518
  • Unit Cell Volume: 710.1895875744742
  • Molar Volume: 8.55372332531966
  • Full Formula: La2 Th8 O2 F38
  • Reduced Formula: LaTh4OF19
  • Formula Anonymous: ABC4D19
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -362.49832933
  • Final energy per atom: -7.249966586599999
  • 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.