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  1. Third-Parties
  2. MatprojStructure
  3. mp-1044331

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-1044331
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ba', 'V', 'Zn', 'O']
  • Chemical System: Ba-O-V-Zn
  • Density: 4.584589474129531
  • Atomic Density: 0.07231592683626578
  • Unit Cell Volume: 193.59497433667858
  • Molar Volume: 8.327544184886186
  • Full Formula: Ba1 V4 Zn1 O8
  • Reduced Formula: BaV4ZnO8
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -111.52892945
  • Final energy per atom: -7.966352103571429
  • 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.