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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92243
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Li', 'Ni', 'S']
  • Chemical System: Li-Ni-S
  • Density: 3.692377866205625
  • Atomic Density: 0.06854274132838596
  • Unit Cell Volume: 116.71549525094525
  • Molar Volume: 8.785964265928799
  • Full Formula: Li2 Ni2 S4
  • Reduced Formula: LiNiS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1