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  1. Third-Parties
  2. MatprojStructure
  3. mp-641097

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-641097
  • 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: 120
  • Number of elements: 4
  • Element list: ['U', 'Tl', 'Mo', 'O']
  • Chemical System: Mo-O-Tl-U
  • Density: 5.861490467978389
  • Atomic Density: 0.053018621756705006
  • Unit Cell Volume: 2263.3557045421344
  • Molar Volume: 11.358538868918089
  • Full Formula: U8 Tl16 Mo16 O80
  • Reduced Formula: UTl2(MoO5)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -970.09601271
  • Final energy per atom: -8.08413343925
  • 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.