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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1206613
  • Created at: Sept. 4, 2022, 3:38 p.m.
  • Last updated at: Sept. 4, 2022, 3:38 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 59
  • Number of elements: 3
  • Element list: ['Pd', 'S', 'Sn']
  • Chemical System: Pd-S-Sn
  • Density: 5.2557909161225975
  • Atomic Density: 0.03654001140891338
  • Unit Cell Volume: 1614.6683518989773
  • Molar Volume: 16.480949315004835
  • Full Formula: Sn32 Pd6 S21
  • Reduced Formula: Sn32(Pd2S7)3
  • Formula Anonymous: A6B21C32
  • Spacegroup Number: 157
  • Spacegroup Symbol: P31m
  • Crystal System: trigonal
  • Pointgroup: 31m