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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91795
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['C', 'N', 'O']
  • Chemical System: C-N-O
  • Density: 1.67941795303182
  • Atomic Density: 0.0722103496677199
  • Unit Cell Volume: 110.78744303015375
  • Molar Volume: 8.339719704600835
  • Full Formula: C2 N4 O2
  • Reduced Formula: CN2O
  • Formula Anonymous: ABC2
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m