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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-30167
  • 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: 4
  • Number of elements: 3
  • Element list: ['Fe', 'Cu', 'S']
  • Chemical System: Cu-Fe-S
  • Density: 4.483352866844693
  • Atomic Density: 0.05884750420980419
  • Unit Cell Volume: 67.97229642465597
  • Molar Volume: 10.233468421243074
  • Full Formula: Fe1 Cu1 S2
  • Reduced Formula: FeCuS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1