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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-11766
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ba', 'Co', 'O']
  • Chemical System: Ba-Co-O
  • Density: 5.720043277808166
  • Atomic Density: 0.060364597301686494
  • Unit Cell Volume: 198.7920161220845
  • Molar Volume: 9.976279192094854
  • Full Formula: Ba3 Co3 O6
  • Reduced Formula: BaCoO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321