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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-5122
  • 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: 8
  • Number of elements: 4
  • Element list: ['Sm', 'Cu', 'Se', 'F']
  • Chemical System: Cu-F-Se-Sm
  • Density: 6.606202122754952
  • Atomic Density: 0.05102663680468351
  • Unit Cell Volume: 156.78085997754246
  • Molar Volume: 11.801955090732639
  • Full Formula: Sm2 Cu2 Se2 F2
  • Reduced Formula: SmCuSeF
  • Formula Anonymous: ABCD
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm