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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-62911
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['As', 'K', 'Sn']
  • Chemical System: As-K-Sn
  • Density: 3.5360952706559083
  • Atomic Density: 0.030883611613823737
  • Unit Cell Volume: 1813.2594302841828
  • Molar Volume: 19.49947057780135
  • Full Formula: K24 Sn12 As20
  • Reduced Formula: K6Sn3As5
  • Formula Anonymous: A3B5C6
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm