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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-75729
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ni', 'As', 'Cl']
  • Chemical System: As-Cl-Ni
  • Density: 6.196734925289915
  • Atomic Density: 0.06553807622432971
  • Unit Cell Volume: 61.03322267666867
  • Molar Volume: 9.188766449883067
  • Full Formula: Ni2 As1 Cl1
  • Reduced Formula: Ni2AsCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m