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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116628
  • 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: 26
  • Number of elements: 6
  • Element list: ['Yb', 'Ba', 'Al', 'Si', 'N', 'O']
  • Chemical System: Al-Ba-N-O-Si-Yb
  • Density: 5.21190530738462
  • Atomic Density: 0.07795405350279665
  • Unit Cell Volume: 333.52980161663095
  • Molar Volume: 7.725243896116259
  • Full Formula: Ba2 Yb2 Al6 Si2 N8 O6
  • Reduced Formula: BaYbAl3SiN4O3
  • Formula Anonymous: ABCD3E3F4
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm