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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57387
  • 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: 23
  • Number of elements: 5
  • Element list: ['Ba', 'Nb', 'Fe', 'Si', 'O']
  • Chemical System: Ba-Fe-Nb-O-Si
  • Density: 4.623986361965426
  • Atomic Density: 0.06723440310124157
  • Unit Cell Volume: 342.08677312664764
  • Molar Volume: 8.95693347783851
  • Full Formula: Ba3 Nb1 Fe3 Si2 O14
  • Reduced Formula: Ba3NbFe3(SiO7)2
  • Formula Anonymous: AB2C3D3E14
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321