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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-45398
  • 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: 24
  • Number of elements: 4
  • Element list: ['Ba', 'B', 'As', 'O']
  • Chemical System: As-B-Ba-O
  • Density: 4.466418711490021
  • Atomic Density: 0.07100298012446758
  • Unit Cell Volume: 338.0139813558278
  • Molar Volume: 8.481532394053378
  • Full Formula: Ba3 B3 As3 O15
  • Reduced Formula: BaBAsO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321