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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97832
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Ba', 'B', 'N']
  • Chemical System: B-Ba-N
  • Density: 4.632605825830688
  • Atomic Density: 0.05128034270085383
  • Unit Cell Volume: 702.0233895472892
  • Molar Volume: 11.74356574629469
  • Full Formula: Ba12 B8 N16
  • Reduced Formula: Ba3(BN2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222