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  1. Third-Parties
  2. MatprojStructure
  3. mp-1835930

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-1835930
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ca', 'V', 'O']
  • Chemical System: Ca-O-V
  • Density: 3.8578739703457687
  • Atomic Density: 0.07896180137296377
  • Unit Cell Volume: 354.6018392836096
  • Molar Volume: 7.626650678288552
  • Full Formula: Ca4 V8 O16
  • Reduced Formula: CaV2O4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -237.89866544
  • Final energy per atom: -8.496380908571428
  • 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.