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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26412
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Bi', 'Cl', 'O']
  • Chemical System: Ba-Bi-Cl-O
  • Density: 6.139942050216134
  • Atomic Density: 0.04468250530432014
  • Unit Cell Volume: 223.80123790939598
  • Molar Volume: 13.477625569526309
  • Full Formula: Ba2 Bi2 Cl2 O4
  • Reduced Formula: BaBiClO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm