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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1443508
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ca', 'S']
  • Chemical System: Ca-S
  • Density: 0.9223529585973087
  • Atomic Density: 0.015398692455248534
  • Unit Cell Volume: 519.5246299807266
  • Molar Volume: 39.10813062538564
  • Full Formula: Ca4 S4
  • Reduced Formula: CaS
  • Formula Anonymous: AB
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1