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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88770
  • 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: 39
  • Number of elements: 4
  • Element list: ['Ba', 'Nb', 'Si', 'O']
  • Chemical System: Ba-Nb-O-Si
  • Density: 4.408361434626216
  • Atomic Density: 0.06912810127340906
  • Unit Cell Volume: 564.1699870469581
  • Molar Volume: 8.711566857856818
  • Full Formula: Ba3 Nb6 Si4 O26
  • Reduced Formula: Ba3Nb6(Si2O13)2
  • Formula Anonymous: A3B4C6D26
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m