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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-32531
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Tl', 'H', 'C', 'O']
  • Chemical System: C-H-O-Tl
  • Density: 5.35083110229331
  • Atomic Density: 0.06460176920912908
  • Unit Cell Volume: 309.5890444618618
  • Molar Volume: 9.32194401751615
  • Full Formula: Tl4 H4 C4 O8
  • Reduced Formula: TlHCO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm