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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99445
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Pr', 'S', 'O']
  • Chemical System: O-Pr-S
  • Density: 5.483520501752415
  • Atomic Density: 0.0524244707087277
  • Unit Cell Volume: 114.45036867107771
  • Molar Volume: 11.487270502852068
  • Full Formula: Pr2 S2 O2
  • Reduced Formula: PrSO
  • Formula Anonymous: ABC
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm