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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116714
  • 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: 25
  • Number of elements: 5
  • Element list: ['Ba', 'Sc', 'Ti', 'Bi', 'O']
  • Chemical System: Ba-Bi-O-Sc-Ti
  • Density: 6.274363440575262
  • Atomic Density: 0.07650643572502186
  • Unit Cell Volume: 326.7698954092513
  • Molar Volume: 7.8714172251399575
  • Full Formula: Ba4 Sc1 Ti4 Bi1 O15
  • Reduced Formula: Ba4ScTi4BiO15
  • Formula Anonymous: ABC4D4E15
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm