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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119209
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Y', 'Ti', 'O']
  • Chemical System: Ca-O-Ti-Y
  • Density: 4.3334363701871474
  • Atomic Density: 0.08807470530040386
  • Unit Cell Volume: 227.07995368005268
  • Molar Volume: 6.837537224177786
  • Full Formula: Ca3 Y1 Ti4 O12
  • Reduced Formula: Ca3YTi4O12
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m