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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117152
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Nd', 'Ga', 'Ni', 'S']
  • Chemical System: Ga-Nd-Ni-S
  • Density: 5.011794082555541
  • Atomic Density: 0.046102590618117674
  • Unit Cell Volume: 520.5781210604754
  • Molar Volume: 13.062478006677097
  • Full Formula: Nd6 Ga2 Ni2 S14
  • Reduced Formula: Nd3GaNiS7
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6