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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-7114
  • Created at: Sept. 4, 2022, 3:15 p.m.
  • Last updated at: Sept. 4, 2022, 3:15 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Cl', 'Fe', 'Se']
  • Chemical System: Cl-Fe-Se
  • Density: 2.5384049338097743
  • Atomic Density: 0.035923840241444134
  • Unit Cell Volume: 501.0600169420084
  • Molar Volume: 16.76363306240422
  • Full Formula: Fe2 Se2 Cl14
  • Reduced Formula: FeSeCl7
  • Formula Anonymous: ABC7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1