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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96828
  • 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: 30
  • Number of elements: 4
  • Element list: ['H', 'C', 'I', 'N']
  • Chemical System: C-H-I-N
  • Density: 2.069682329823811
  • Atomic Density: 0.09996583560958947
  • Unit Cell Volume: 300.1025281993659
  • Molar Volume: 6.02419889082817
  • Full Formula: H20 C6 I2 N2
  • Reduced Formula: H10C3IN
  • Formula Anonymous: ABC3D10
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m