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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26732
  • 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: 62
  • Number of elements: 4
  • Element list: ['Ba', 'Nb', 'Si', 'O']
  • Chemical System: Ba-Nb-O-Si
  • Density: 5.933905844833294
  • Atomic Density: 0.07921395125914009
  • Unit Cell Volume: 782.6904101421925
  • Molar Volume: 7.602373905449056
  • Full Formula: Ba2 Nb20 Si2 O38
  • Reduced Formula: BaNb10SiO19
  • Formula Anonymous: ABC10D19
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6