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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9541
  • 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: 10
  • Number of elements: 3
  • Element list: ['Y', 'Fe', 'O']
  • Chemical System: Fe-O-Y
  • Density: 5.091057648914859
  • Atomic Density: 0.0795310425385626
  • Unit Cell Volume: 125.73706669507384
  • Molar Volume: 7.572063143872428
  • Full Formula: Y2 Fe2 O6
  • Reduced Formula: YFeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm