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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108182
  • 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: ['Ca', 'Ni', 'N']
  • Chemical System: Ca-N-Ni
  • Density: 4.253012517306792
  • Atomic Density: 0.0681308872257499
  • Unit Cell Volume: 88.06578402713527
  • Molar Volume: 8.839075792519472
  • Full Formula: Ca2 Ni2 N2
  • Reduced Formula: CaNiN
  • Formula Anonymous: ABC
  • Spacegroup Number: 131
  • Spacegroup Symbol: P4_2/mmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm