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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29742
  • 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: 6
  • Number of elements: 3
  • Element list: ['Sm', 'Cl', 'F']
  • Chemical System: Cl-F-Sm
  • Density: 6.115156196810303
  • Atomic Density: 0.053941817922134566
  • Unit Cell Volume: 111.23095644757555
  • Molar Volume: 11.164141276612158
  • Full Formula: Sm2 Cl2 F2
  • Reduced Formula: SmClF
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm