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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-41813
  • 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: 4
  • Number of elements: 2
  • Element list: ['Pa', 'O']
  • Chemical System: O-Pa
  • Density: 11.088065137517658
  • Atomic Density: 0.09572148181649458
  • Unit Cell Volume: 41.78790302962826
  • Molar Volume: 6.291315852741295
  • Full Formula: Pa1 O3
  • Reduced Formula: PaO3
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm