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  1. Third-Parties
  2. MatprojStructure
  3. mp-1350084

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-1350084
  • 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: 52
  • Number of elements: 3
  • Element list: ['Y', 'V', 'O']
  • Chemical System: O-V-Y
  • Density: 3.9019607434291537
  • Atomic Density: 0.07919530198541368
  • Unit Cell Volume: 656.6046052779425
  • Molar Volume: 7.604164147400017
  • Full Formula: Y4 V12 O36
  • Reduced Formula: YV3O9
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -447.08647047
  • Final energy per atom: -8.597816739807692
  • 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.