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  1. Third-Parties
  2. MatprojStructure
  3. mp-685195

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-685195
  • 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: 39
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Tl', 'As', 'O']
  • Chemical System: As-La-O-Sr-Tl
  • Density: 5.270571104381326
  • Atomic Density: 0.058218443980925134
  • Unit Cell Volume: 669.8907997743478
  • Molar Volume: 10.344042795051534
  • Full Formula: Sr3 La3 Tl3 As6 O24
  • Reduced Formula: SrLaTl(AsO4)2
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 145
  • Spacegroup Symbol: P3_2
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -271.73620434
  • Final energy per atom: -6.967594983076922
  • 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.