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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11349
  • 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: 4.028092422625307
  • Atomic Density: 0.08047686678849454
  • Unit Cell Volume: 198.81489723065928
  • Molar Volume: 7.483070601924777
  • Full Formula: Ti4 Zn2 O10
  • Reduced Formula: Ti2ZnO5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm