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  1. Third-Parties
  2. MatprojStructure
  3. mp-562771

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-562771
  • 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: 45
  • Number of elements: 4
  • Element list: ['Ba', 'Ga', 'Co', 'O']
  • Chemical System: Ba-Co-Ga-O
  • Density: 5.976116033098123
  • Atomic Density: 0.07987076231273085
  • Unit Cell Volume: 563.4101728465324
  • Molar Volume: 7.539856369994996
  • Full Formula: Ba6 Ga2 Co11 O26
  • Reduced Formula: Ba6Ga2Co11O26
  • Formula Anonymous: A2B6C11D26
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -307.5402218
  • Final energy per atom: -6.834227151111111
  • 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.