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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115813
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Y', 'O']
  • Chemical System: Ca-O-Y
  • Density: 4.866872162123793
  • Atomic Density: 0.07282521248436047
  • Unit Cell Volume: 54.92603266841161
  • Molar Volume: 8.269307502938329
  • Full Formula: Ca1 Y1 O2
  • Reduced Formula: CaYO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m