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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-46195
  • 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: 18
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'B', 'O']
  • Chemical System: B-Cr-Li-O
  • Density: 3.3239033294304243
  • Atomic Density: 0.10200072730631937
  • Unit Cell Volume: 176.46932992883498
  • Molar Volume: 5.904017470301805
  • Full Formula: Li3 Cr3 B3 O9
  • Reduced Formula: LiCrBO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6