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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228527

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-1228527
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Ba', 'Nb', 'Co', 'O']
  • Chemical System: Ba-Co-Nb-O
  • Density: 5.492100755140972
  • Atomic Density: 0.06918551284567134
  • Unit Cell Volume: 664.8790781187081
  • Molar Volume: 8.704337819151947
  • Full Formula: Ba6 Nb9 Co1 O30
  • Reduced Formula: Ba6Nb9CoO30
  • Formula Anonymous: AB6C9D30
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -399.47067479
  • Final energy per atom: -8.684145104130435
  • 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.