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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58580
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ca', 'Ni', 'O']
  • Chemical System: Ca-Ni-O
  • Density: 5.243421458449444
  • Atomic Density: 0.09980762182830799
  • Unit Cell Volume: 140.26984857011433
  • Molar Volume: 6.033748374807952
  • Full Formula: Ca2 Ni4 O8
  • Reduced Formula: Ca(NiO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm