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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50450
  • 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: 12
  • Number of elements: 3
  • Element list: ['Zr', 'Se', 'O']
  • Chemical System: O-Se-Zr
  • Density: 6.133813907276297
  • Atomic Density: 0.05951984563290068
  • Unit Cell Volume: 201.6134261169317
  • Molar Volume: 10.117870259850191
  • Full Formula: Zr4 Se4 O4
  • Reduced Formula: ZrSeO
  • Formula Anonymous: ABC
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23