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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97944
  • 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: 46
  • Number of elements: 5
  • Element list: ['Y', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Y
  • Density: 2.1143118839855215
  • Atomic Density: 0.10945142396992981
  • Unit Cell Volume: 420.2777664421966
  • Molar Volume: 5.5021127561158965
  • Full Formula: Y1 H16 C4 N9 O16
  • Reduced Formula: YH16C4N9O16
  • Formula Anonymous: AB4C9D16E16
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m