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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9666
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ti', 'Zn', 'O']
  • Chemical System: O-Ti-Zn
  • Density: 5.3050197025747945
  • Atomic Density: 0.08796453450844645
  • Unit Cell Volume: 181.8914871704762
  • Molar Volume: 6.846100867414637
  • Full Formula: Ti4 Zn4 O8
  • Reduced Formula: TiZnO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1