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  1. Third-Parties
  2. MatprojStructure
  3. mp-27761

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-27761
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Li', 'Th', 'F']
  • Chemical System: F-Li-Th
  • Density: 4.330921585451447
  • Atomic Density: 0.0743542052686047
  • Unit Cell Volume: 591.7620912099043
  • Molar Volume: 8.099260476586368
  • Full Formula: Li12 Th4 F28
  • Reduced Formula: Li3ThF7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -263.04114628
  • Final energy per atom: -5.97820787
  • 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.