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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9441
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ni', 'As', 'S']
  • Chemical System: As-Ni-S
  • Density: 5.8539824856320894
  • Atomic Density: 0.06383421031005669
  • Unit Cell Volume: 187.98697346945127
  • Molar Volume: 9.434033460661842
  • Full Formula: Ni4 As4 S4
  • Reduced Formula: NiAsS
  • Formula Anonymous: ABC
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23