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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100040
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Al', 'Ni', 'As']
  • Chemical System: Al-As-Ni
  • Density: 6.375923978236036
  • Atomic Density: 0.07003825516190951
  • Unit Cell Volume: 57.111645496494475
  • Molar Volume: 8.598359205377745
  • Full Formula: Al1 Ni2 As1
  • Reduced Formula: AlNi2As
  • Formula Anonymous: ABC2
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2