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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52138
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ca', 'U', 'S']
  • Chemical System: Ca-S-U
  • Density: 5.457348600895431
  • Atomic Density: 0.03841189597269186
  • Unit Cell Volume: 416.53762707716555
  • Molar Volume: 15.677801388094238
  • Full Formula: Ca4 U4 S8
  • Reduced Formula: CaUS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m