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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57156
  • 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: 2
  • Element list: ['Zr', 'O']
  • Chemical System: O-Zr
  • Density: 6.666952235166176
  • Atomic Density: 0.055441199668648106
  • Unit Cell Volume: 288.59404370082507
  • Molar Volume: 10.862212210399749
  • Full Formula: Zr12 O4
  • Reduced Formula: Zr3O
  • Formula Anonymous: AB3
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32