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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20843
  • 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: 21
  • Number of elements: 3
  • Element list: ['Sc', 'Ni', 'P']
  • Chemical System: Ni-P-Sc
  • Density: 6.578913167985936
  • Atomic Density: 0.08229096699603419
  • Unit Cell Volume: 255.1920431438367
  • Molar Volume: 7.318106688781799
  • Full Formula: Sc2 Ni12 P7
  • Reduced Formula: Sc2Ni12P7
  • Formula Anonymous: A2B7C12
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6