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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98935
  • 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: 48
  • Number of elements: 5
  • Element list: ['Tl', 'Cu', 'H', 'C', 'O']
  • Chemical System: C-Cu-H-O-Tl
  • Density: 5.408932062729496
  • Atomic Density: 0.07554433144267544
  • Unit Cell Volume: 635.3885074278983
  • Molar Volume: 7.971664643785644
  • Full Formula: Tl6 Cu6 H6 C6 O24
  • Reduced Formula: TlCuHCO4
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m