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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-30523
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ti', 'Zn', 'O']
  • Chemical System: O-Ti-Zn
  • Density: 4.041680867848629
  • Atomic Density: 0.0850032767156179
  • Unit Cell Volume: 329.399066505109
  • Molar Volume: 7.084598373951312
  • Full Formula: Ti8 Zn2 O18
  • Reduced Formula: Ti4ZnO9
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m