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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1751703
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cl', 'Hg', 'Nb']
  • Chemical System: Cl-Hg-Nb
  • Density: 5.718358484066137
  • Atomic Density: 0.037951259648629415
  • Unit Cell Volume: 263.49586529102584
  • Molar Volume: 15.868091904605562
  • Full Formula: Nb1 Hg3 Cl6
  • Reduced Formula: Nb(HgCl2)3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m