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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104108
  • 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: 14
  • Number of elements: 4
  • Element list: ['H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O
  • Density: 1.6999902815298984
  • Atomic Density: 0.1256115816194976
  • Unit Cell Volume: 111.45469087722165
  • Molar Volume: 4.794255977320834
  • Full Formula: H6 C4 N2 O2
  • Reduced Formula: H3C2NO
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2