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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118084
  • 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: 3
  • Number of elements: 3
  • Element list: ['Sb', 'N', 'Cl']
  • Chemical System: Cl-N-Sb
  • Density: 5.046531557851343
  • Atomic Density: 0.053248995416412925
  • Unit Cell Volume: 56.33909102959923
  • Molar Volume: 11.309397882356665
  • Full Formula: Sb1 N1 Cl1
  • Reduced Formula: SbNCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2