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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223220

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-1223220
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['La', 'Th', 'Ta', 'Cl', 'O']
  • Chemical System: Cl-La-O-Ta-Th
  • Density: 7.000291360333264
  • Atomic Density: 0.06135993061760918
  • Unit Cell Volume: 423.729292688256
  • Molar Volume: 9.81445171039968
  • Full Formula: La4 Th2 Ta2 Cl6 O12
  • Reduced Formula: La2ThTa(ClO2)3
  • Formula Anonymous: ABC2D3E6
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -223.02519044
  • Final energy per atom: -8.577891939999999
  • 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.