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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113555
  • 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: 6
  • Number of elements: 3
  • Element list: ['Li', 'Ca', 'N']
  • Chemical System: Ca-Li-N
  • Density: 2.7738498026795853
  • Atomic Density: 0.08211874979528662
  • Unit Cell Volume: 73.06492140902495
  • Molar Volume: 7.33345402239143
  • Full Formula: Li2 Ca2 N2
  • Reduced Formula: LiCaN
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm