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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29500
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Zn', 'Se', 'Cl', 'O']
  • Chemical System: Cl-O-Se-Zn
  • Density: 3.6556577965014756
  • Atomic Density: 0.05358339655395076
  • Unit Cell Volume: 597.1999174740745
  • Molar Volume: 11.23881864027894
  • Full Formula: Zn8 Se4 Cl8 O12
  • Reduced Formula: Zn2SeCl2O3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m