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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112466
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ce', 'N', 'Cl']
  • Chemical System: Ce-Cl-N
  • Density: 4.733139662535433
  • Atomic Density: 0.042691657931701835
  • Unit Cell Volume: 281.0853590928142
  • Molar Volume: 14.10612998360061
  • Full Formula: Ce4 N2 Cl6
  • Reduced Formula: Ce2NCl3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm