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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10597
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 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: 4.599955100637272
  • Atomic Density: 0.08755935084557688
  • Unit Cell Volume: 159.89154630315787
  • Molar Volume: 6.87778141551196
  • Full Formula: Ca2 Ni4 O8
  • Reduced Formula: Ca(NiO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m