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  1. Third-Parties
  2. MatprojStructure
  3. mp-27794

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-27794
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['Ba', 'B', 'O']
  • Chemical System: B-Ba-O
  • Density: 2.8062966603958124
  • Atomic Density: 0.08610280171320871
  • Unit Cell Volume: 1022.0341063129454
  • Molar Volume: 6.994128692883366
  • Full Formula: Ba4 B32 O52
  • Reduced Formula: BaB8O13
  • Formula Anonymous: AB8C13
  • Spacegroup Number: 91
  • Spacegroup Symbol: P4_122
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -737.8108468300001
  • Final energy per atom: -8.384214168522728
  • 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.