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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113559
  • 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: 3
  • Number of elements: 2
  • Element list: ['Ca', 'N']
  • Chemical System: Ca-N
  • Density: 1.6466207246183155
  • Atomic Density: 0.03159270640735083
  • Unit Cell Volume: 94.95862625121522
  • Molar Volume: 19.061807122034974
  • Full Formula: Ca2 N1
  • Reduced Formula: Ca2N
  • Formula Anonymous: AB2
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm