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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55541
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ti', 'Cd', 'O']
  • Chemical System: Cd-O-Ti
  • Density: 6.117571200640816
  • Atomic Density: 0.08844235417275861
  • Unit Cell Volume: 226.13599770233455
  • Molar Volume: 6.8091140453324766
  • Full Formula: Ti4 Cd4 O12
  • Reduced Formula: TiCdO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2