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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98784
  • 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: 30
  • Number of elements: 4
  • Element list: ['Pr', 'Si', 'Cl', 'O']
  • Chemical System: Cl-O-Pr-Si
  • Density: 4.797486166080255
  • Atomic Density: 0.06215386616958193
  • Unit Cell Volume: 482.6731118889268
  • Molar Volume: 9.689084736207823
  • Full Formula: Pr6 Si4 Cl6 O14
  • Reduced Formula: Pr3Si2Cl3O7
  • Formula Anonymous: A2B3C3D7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2