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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50343
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Pr', 'Si', 'O']
  • Chemical System: O-Pr-Si
  • Density: 4.543906554607139
  • Atomic Density: 0.0704681491816836
  • Unit Cell Volume: 170.28970023125135
  • Molar Volume: 8.545904539756668
  • Full Formula: Pr2 Si2 O8
  • Reduced Formula: PrSiO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm