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  1. Third-Parties
  2. MatprojStructure
  3. mp-706869

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-706869
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 5
  • Element list: ['La', 'Th', 'Ta', 'Cl', 'O']
  • Chemical System: Cl-La-O-Ta-Th
  • Density: 6.9975745202018755
  • Atomic Density: 0.0613361165913951
  • Unit Cell Volume: 1271.6814225395985
  • Molar Volume: 9.818262215910899
  • Full Formula: La12 Th6 Ta6 Cl18 O36
  • Reduced Formula: La2ThTa(ClO2)3
  • Formula Anonymous: ABC2D3E6
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -668.05383837
  • Final energy per atom: -8.564792799615384
  • 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.