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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85826
  • 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: 10
  • Number of elements: 2
  • Element list: ['Ni', 'S']
  • Chemical System: Ni-S
  • Density: 6.414051539147123
  • Atomic Density: 0.08040108460004418
  • Unit Cell Volume: 124.3764316084177
  • Molar Volume: 7.490123783724046
  • Full Formula: Ni6 S4
  • Reduced Formula: Ni3S2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm