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  1. Third-Parties
  2. MatprojStructure
  3. mp-756428

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-756428
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['La', 'Th', 'O']
  • Chemical System: La-O-Th
  • Density: 9.061354334744575
  • Atomic Density: 0.06670715364423288
  • Unit Cell Volume: 224.8634393846126
  • Molar Volume: 9.027728558345766
  • Full Formula: La1 Th4 O10
  • Reduced Formula: LaTh4O10
  • Formula Anonymous: AB4C10
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -145.96191094
  • Final energy per atom: -9.730794062666666
  • 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.