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  1. Third-Parties
  2. MatprojStructure
  3. mp-641191

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-641191
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['U', 'Tl', 'Mo', 'O']
  • Chemical System: Mo-O-Tl-U
  • Density: 5.598196296556325
  • Atomic Density: 0.05427572460870994
  • Unit Cell Volume: 1695.0487655992754
  • Molar Volume: 11.095458979894653
  • Full Formula: U8 Tl8 Mo12 O64
  • Reduced Formula: U2Tl2Mo3O16
  • Formula Anonymous: A2B2C3D16
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -781.01522946
  • Final energy per atom: -8.489295972391304
  • 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.