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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-31773
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 150
  • Number of elements: 2
  • Element list: ['Mg', 'S']
  • Chemical System: Mg-S
  • Density: 1.7738177811859643
  • Atomic Density: 0.04385719635877946
  • Unit Cell Volume: 3420.191267424065
  • Molar Volume: 13.731248825700348
  • Full Formula: Mg149 S1
  • Reduced Formula: Mg149S
  • Formula Anonymous: AB149
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2