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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50852
  • 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: 24
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'O']
  • Chemical System: O-Ti-Zr
  • Density: 5.031350531756734
  • Atomic Density: 0.08951610614956457
  • Unit Cell Volume: 268.10817664365914
  • Molar Volume: 6.727438244396082
  • Full Formula: Zr4 Ti4 O16
  • Reduced Formula: ZrTiO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1