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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22696
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Y', 'Se', 'O']
  • Chemical System: O-Se-Y
  • Density: 5.514590832760117
  • Atomic Density: 0.05750179163066099
  • Unit Cell Volume: 86.95381236319443
  • Molar Volume: 10.472961953395702
  • Full Formula: Y2 Se1 O2
  • Reduced Formula: Y2SeO2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1