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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207730

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-1207730
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Y', 'Tl', 'Mo', 'O']
  • Chemical System: Mo-O-Tl-Y
  • Density: 4.6635682905122815
  • Atomic Density: 0.0549634003328008
  • Unit Cell Volume: 873.3084144969608
  • Molar Volume: 10.956637914569004
  • Full Formula: Y4 Tl4 Mo8 O32
  • Reduced Formula: YTl(MoO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -394.18714138
  • Final energy per atom: -8.212232112083333
  • 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.