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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216333

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-1216333
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['V', 'Ni', 'As', 'O']
  • Chemical System: As-Ni-O-V
  • Density: 4.98065891959967
  • Atomic Density: 0.0906931987534667
  • Unit Cell Volume: 286.6808135268927
  • Molar Volume: 6.64012389327023
  • Full Formula: V2 Ni6 As2 O16
  • Reduced Formula: VNi3AsO8
  • Formula Anonymous: ABC3D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -185.54858992
  • Final energy per atom: -7.136484227692308
  • 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.