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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-53119
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ba', 'N', 'F']
  • Chemical System: Ba-F-N
  • Density: 5.436970984042447
  • Atomic Density: 0.042569459827060084
  • Unit Cell Volume: 187.92815395121946
  • Molar Volume: 14.146622448264921
  • Full Formula: Ba4 N2 F2
  • Reduced Formula: Ba2NF
  • Formula Anonymous: ABC2
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2