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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90186
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 5
  • Element list: ['Ba', 'Co', 'Cu', 'S', 'O']
  • Chemical System: Ba-Co-Cu-O-S
  • Density: 5.909713020247037
  • Atomic Density: 0.05752469718810001
  • Unit Cell Volume: 156.45453935326074
  • Molar Volume: 10.468791761403285
  • Full Formula: Ba2 Co1 Cu2 S2 O2
  • Reduced Formula: Ba2CoCu2(SO)2
  • Formula Anonymous: AB2C2D2E2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm