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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100134
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Li', 'Bi', 'S']
  • Chemical System: Bi-Li-S
  • Density: 4.462728929401692
  • Atomic Density: 0.04682211409756596
  • Unit Cell Volume: 106.78714740605709
  • Molar Volume: 12.861744660762893
  • Full Formula: Li2 Bi1 S2
  • Reduced Formula: Li2BiS2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm