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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196334

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-1196334
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['Ba', 'U', 'As', 'O']
  • Chemical System: As-Ba-O-U
  • Density: 5.139369766161864
  • Atomic Density: 0.05644240387060692
  • Unit Cell Volume: 2126.0611131144874
  • Molar Volume: 10.669532739614771
  • Full Formula: Ba16 U8 As16 O80
  • Reduced Formula: Ba2U(AsO5)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -928.98713627
  • Final energy per atom: -7.741559468916666
  • 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.