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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35113
  • 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: 23
  • Number of elements: 4
  • Element list: ['Ba', 'P', 'N', 'O']
  • Chemical System: Ba-N-O-P
  • Density: 4.372031850658158
  • Atomic Density: 0.0751441440844527
  • Unit Cell Volume: 306.0784081079006
  • Molar Volume: 8.014118509663055
  • Full Formula: Ba3 P6 N8 O6
  • Reduced Formula: Ba3P6(N4O3)2
  • Formula Anonymous: A3B6C6D8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3