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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214976

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-1214976
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Ba', 'U', 'W', 'Se', 'O']
  • Chemical System: Ba-O-Se-U-W
  • Density: 6.424639134212554
  • Atomic Density: 0.04985708581658831
  • Unit Cell Volume: 922.637158722482
  • Molar Volume: 12.078806174420105
  • Full Formula: Ba2 U6 W6 Se4 O28
  • Reduced Formula: BaU3W3(SeO7)2
  • Formula Anonymous: AB2C3D3E14
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -388.27795452
  • Final energy per atom: -8.44082509826087
  • 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.