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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36702
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ca', 'Tc', 'N']
  • Chemical System: Ca-N-Tc
  • Density: 4.322315328383124
  • Atomic Density: 0.07226503590438785
  • Unit Cell Volume: 138.37950642176062
  • Molar Volume: 8.333408659711663
  • Full Formula: Ca2 Tc2 N6
  • Reduced Formula: CaTcN3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m