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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13795
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ca', 'I', 'N']
  • Chemical System: Ca-I-N
  • Density: 4.061273829176596
  • Atomic Density: 0.044253631459900016
  • Unit Cell Volume: 180.77612471756402
  • Molar Volume: 13.608240863706072
  • Full Formula: Ca4 I2 N2
  • Reduced Formula: Ca2IN
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm