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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202924

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-1202924
  • 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: 54
  • Number of elements: 4
  • Element list: ['Ba', 'U', 'As', 'O']
  • Chemical System: As-Ba-O-U
  • Density: 3.7795618109506246
  • Atomic Density: 0.055105834910114844
  • Unit Cell Volume: 979.9325259853406
  • Molar Volume: 10.92831779034459
  • Full Formula: Ba2 U4 As4 O44
  • Reduced Formula: BaU2(AsO11)2
  • Formula Anonymous: AB2C2D22
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -358.6604296
  • Final energy per atom: -6.641859807407407
  • 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.