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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-89976
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ti', 'Cd', 'O']
  • Chemical System: Cd-O-Ti
  • Density: 4.716800973199275
  • Atomic Density: 0.08405536196846118
  • Unit Cell Volume: 107.0722888966552
  • Molar Volume: 7.164493280344919
  • Full Formula: Ti2 Cd1 O6
  • Reduced Formula: Ti2CdO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m