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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57528
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Ba', 'Cu', 'Cl', 'O']
  • Chemical System: Ba-Cl-Cu-O
  • Density: 5.261077990888842
  • Atomic Density: 0.051709877529222105
  • Unit Cell Volume: 425.45063054089496
  • Molar Volume: 11.646016288854655
  • Full Formula: Ba6 Cu4 Cl4 O8
  • Reduced Formula: Ba3Cu2(ClO2)2
  • Formula Anonymous: A2B2C3D4
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm