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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103983
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['Cd', 'H', 'C', 'O']
  • Chemical System: C-Cd-H-O
  • Density: 2.0615140255971283
  • Atomic Density: 0.12309791044486539
  • Unit Cell Volume: 251.83205700217522
  • Molar Volume: 4.892155145636912
  • Full Formula: Cd1 H16 C10 O4
  • Reduced Formula: CdH16(C5O2)2
  • Formula Anonymous: AB4C10D16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1