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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-71858
  • 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: 4
  • Element list: ['Bi', 'K', 'P', 'S']
  • Chemical System: Bi-K-P-S
  • Density: 2.8220097760164062
  • Atomic Density: 0.03690208755917189
  • Unit Cell Volume: 1517.5293243290077
  • Molar Volume: 16.31924142595889
  • Full Formula: K12 Bi4 P8 S32
  • Reduced Formula: K3Bi(PS4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222