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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9852
  • 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: 18
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'Ni', 'O']
  • Chemical System: Al-Ca-Ni-O
  • Density: 3.8904925397346304
  • Atomic Density: 0.08577619149956778
  • Unit Cell Volume: 209.84844028766074
  • Molar Volume: 7.020760253770822
  • Full Formula: Ca4 Al2 Ni2 O10
  • Reduced Formula: Ca2AlNiO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2