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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233955

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-1233955
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 4
  • Element list: ['Th', 'Mg', 'B', 'O']
  • Chemical System: B-Mg-O-Th
  • Density: 5.389692004189836
  • Atomic Density: 0.07881895428102947
  • Unit Cell Volume: 418.6810177960278
  • Molar Volume: 7.640472796084073
  • Full Formula: Th4 Mg1 B8 O20
  • Reduced Formula: Th4Mg(B2O5)4
  • Formula Anonymous: AB4C8D20
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -290.00165318
  • Final energy per atom: -8.787928884242424
  • 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.