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  1. Third-Parties
  2. MatprojStructure
  3. mp-648007

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-648007
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 3
  • Element list: ['Tl', 'Mo', 'O']
  • Chemical System: Mo-O-Tl
  • Density: 5.562125027648502
  • Atomic Density: 0.06360920926254252
  • Unit Cell Volume: 2389.59109478363
  • Molar Volume: 9.467403902387844
  • Full Formula: Tl16 Mo32 O104
  • Reduced Formula: Tl2Mo4O13
  • Formula Anonymous: A2B4C13
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1180.38314364
  • Final energy per atom: -7.765678576578948
  • 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.