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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195118

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-1195118
  • 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: 44
  • Number of elements: 3
  • Element list: ['Ba', 'Te', 'O']
  • Chemical System: Ba-O-Te
  • Density: 5.477021198447548
  • Atomic Density: 0.05739665121294268
  • Unit Cell Volume: 766.5952467637729
  • Molar Volume: 10.4921465499054
  • Full Formula: Ba4 Te12 O28
  • Reduced Formula: BaTe3O7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -267.83825946
  • Final energy per atom: -6.087233169545455
  • 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.