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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101894
  • 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: 26
  • Number of elements: 4
  • Element list: ['Ca', 'H', 'C', 'O']
  • Chemical System: C-Ca-H-O
  • Density: 2.058933583968353
  • Atomic Density: 0.10322720272053308
  • Unit Cell Volume: 251.87159309537603
  • Molar Volume: 5.833869950253072
  • Full Formula: Ca2 H8 C8 O8
  • Reduced Formula: CaH4(CO)4
  • Formula Anonymous: AB4C4D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1