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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196876

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-1196876
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Ca', 'U', 'V', 'O']
  • Chemical System: Ca-O-U-V
  • Density: 4.35859213620677
  • Atomic Density: 0.06488220508608271
  • Unit Cell Volume: 1356.3040880507324
  • Molar Volume: 9.281652422278345
  • Full Formula: Ca4 U8 V8 O68
  • Reduced Formula: CaU2V2O17
  • Formula Anonymous: AB2C2D17
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -682.41700528
  • Final energy per atom: -7.754738696363637
  • 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.