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  1. Third-Parties
  2. MatprojStructure
  3. mp-753156

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-753156
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['La', 'Th', 'O']
  • Chemical System: La-O-Th
  • Density: 7.7645848193767355
  • Atomic Density: 0.06023702714391694
  • Unit Cell Volume: 182.6119335822973
  • Molar Volume: 9.997406986257868
  • Full Formula: La2 Th2 O7
  • Reduced Formula: La2Th2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -104.28265968
  • Final energy per atom: -9.48024178909091
  • 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.