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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21557
  • 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: 36
  • Number of elements: 3
  • Element list: ['Ca', 'C', 'N']
  • Chemical System: C-Ca-N
  • Density: 2.694985770481729
  • Atomic Density: 0.06396609274590905
  • Unit Cell Volume: 562.7981709466283
  • Molar Volume: 9.414582791419827
  • Full Formula: Ca16 C4 N16
  • Reduced Formula: Ca4CN4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm