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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87317
  • 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: 76
  • Number of elements: 4
  • Element list: ['Cr', 'H', 'I', 'N']
  • Chemical System: Cr-H-I-N
  • Density: 2.4235834540950703
  • Atomic Density: 0.0873471069520764
  • Unit Cell Volume: 870.0917826814565
  • Molar Volume: 6.894493670298765
  • Full Formula: Cr4 H48 I6 N18
  • Reduced Formula: Cr2H24(IN3)3
  • Formula Anonymous: A2B3C9D24
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm