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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207869

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-1207869
  • 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: 80
  • Number of elements: 4
  • Element list: ['Y', 'Al', 'V', 'O']
  • Chemical System: Al-O-V-Y
  • Density: 4.5431242953520945
  • Atomic Density: 0.08529295369798966
  • Unit Cell Volume: 937.9438339451667
  • Molar Volume: 7.0605372412398255
  • Full Formula: Y12 Al12 V8 O48
  • Reduced Formula: Y3Al3V2O12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -704.91779452
  • Final energy per atom: -8.8114724315
  • 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.