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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20995
  • 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: 36
  • Number of elements: 3
  • Element list: ['Ba', 'N', 'O']
  • Chemical System: Ba-N-O
  • Density: 3.2090176619516333
  • Atomic Density: 0.06655258831304844
  • Unit Cell Volume: 540.9256185599286
  • Molar Volume: 9.048695043494329
  • Full Formula: Ba4 N8 O24
  • Reduced Formula: Ba(NO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3