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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201686

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-1201686
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Tl', 'Mo', 'Se', 'O']
  • Chemical System: Mo-O-Se-Tl
  • Density: 5.59105595179007
  • Atomic Density: 0.06263954388899538
  • Unit Cell Volume: 574.7168284589719
  • Molar Volume: 9.613960105890841
  • Full Formula: Tl4 Mo6 Se2 O24
  • Reduced Formula: Tl2Mo3SeO12
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -262.44288316
  • Final energy per atom: -7.290080087777778
  • 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.