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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-18085
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Pu', 'S', 'O']
  • Chemical System: O-Pu-S
  • Density: 10.667998776073048
  • Atomic Density: 0.05818547627939111
  • Unit Cell Volume: 85.93209714381878
  • Molar Volume: 10.349903696041414
  • Full Formula: Pu2 S1 O2
  • Reduced Formula: Pu2SO2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1