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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079477

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-1079477
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ba', 'V', 'Mo', 'O']
  • Chemical System: Ba-Mo-O-V
  • Density: 6.358909883132386
  • Atomic Density: 0.07399399034071534
  • Unit Cell Volume: 270.2922211372477
  • Molar Volume: 8.138689010107765
  • Full Formula: Ba4 V2 Mo2 O12
  • Reduced Formula: Ba2VMoO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -160.42225209000003
  • Final energy per atom: -8.0211126045
  • 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.