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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-89763
  • 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: 44
  • Number of elements: 4
  • Element list: ['Tl', 'H', 'N', 'O']
  • Chemical System: H-N-O-Tl
  • Density: 3.4310795222071966
  • Atomic Density: 0.1022792361504588
  • Unit Cell Volume: 430.19484360709737
  • Molar Volume: 5.887940687336651
  • Full Formula: Tl2 H12 N6 O24
  • Reduced Formula: TlH6(NO4)3
  • Formula Anonymous: AB3C6D12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3