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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88123
  • 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: 36
  • Number of elements: 4
  • Element list: ['Ba', 'Ta', 'Si', 'O']
  • Chemical System: Ba-O-Si-Ta
  • Density: 5.97096497526058
  • Atomic Density: 0.06544438827277974
  • Unit Cell Volume: 550.0853617875969
  • Molar Volume: 9.20192077416787
  • Full Formula: Ba3 Ta6 Si4 O23
  • Reduced Formula: Ba3Ta6Si4O23
  • Formula Anonymous: A3B4C6D23
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m