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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55702
  • 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: 20
  • Number of elements: 4
  • Element list: ['Tc', 'H', 'N', 'O']
  • Chemical System: H-N-O-Tc
  • Density: 2.6852404138238284
  • Atomic Density: 0.08982031573050454
  • Unit Cell Volume: 222.66677463044869
  • Molar Volume: 6.704653296998795
  • Full Formula: Tc2 H8 N2 O8
  • Reduced Formula: TcH4NO4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m