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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113995
  • 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: 6
  • Number of elements: 3
  • Element list: ['Cu', 'B', 'O']
  • Chemical System: B-Cu-O
  • Density: 3.7457459469277263
  • Atomic Density: 0.09782432684447188
  • Unit Cell Volume: 61.33443687825452
  • Molar Volume: 6.156076871936396
  • Full Formula: Cu1 B1 O4
  • Reduced Formula: CuBO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4