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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21625
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ni', 'As', 'Se']
  • Chemical System: As-Ni-Se
  • Density: 6.878763583560572
  • Atomic Density: 0.05846155366710008
  • Unit Cell Volume: 205.26310450680236
  • Molar Volume: 10.301027568121286
  • Full Formula: Ni4 As4 Se4
  • Reduced Formula: NiAsSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23