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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88565
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Ni', 'C']
  • Chemical System: C-Ca-Ni
  • Density: 3.511177436546526
  • Atomic Density: 0.06400313010389976
  • Unit Cell Volume: 187.49083022220552
  • Molar Volume: 9.409134756728196
  • Full Formula: Ca4 Ni3 C5
  • Reduced Formula: Ca4Ni3C5
  • Formula Anonymous: A3B4C5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m