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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103894
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ca', 'H', 'C', 'O']
  • Chemical System: C-Ca-H-O
  • Density: 2.109681272493193
  • Atomic Density: 0.08939260878511807
  • Unit Cell Volume: 223.73214376231033
  • Molar Volume: 6.736732311365944
  • Full Formula: Ca2 H4 C6 O8
  • Reduced Formula: CaH2C3O4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1