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  1. Third-Parties
  2. MatprojStructure
  3. mp-562226

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-562226
  • 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: 39
  • Number of elements: 4
  • Element list: ['Ba', 'Nb', 'Co', 'O']
  • Chemical System: Ba-Co-Nb-O
  • Density: 6.0699422981789635
  • Atomic Density: 0.06791930051586835
  • Unit Cell Volume: 574.210860591655
  • Molar Volume: 8.866611867701751
  • Full Formula: Ba8 Nb6 Co1 O24
  • Reduced Formula: Ba8Nb6CoO24
  • Formula Anonymous: AB6C8D24
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -325.52278170000005
  • Final energy per atom: -8.346737992307693
  • 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.