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  1. Third-Parties
  2. MatprojStructure
  3. mp-667498

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-667498
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Y', 'U', 'O']
  • Chemical System: Ba-Ca-O-U-Y
  • Density: 6.508554378839139
  • Atomic Density: 0.05762715053645008
  • Unit Cell Volume: 1353.5286626858945
  • Molar Volume: 10.45017965306284
  • Full Formula: Ba16 Ca2 Y4 U8 O48
  • Reduced Formula: Ba8CaY2U4O24
  • Formula Anonymous: AB2C4D8E24
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -667.08542468
  • Final energy per atom: -8.552377239487178
  • 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.