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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49176
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Sn', 'P', 'S']
  • Chemical System: P-S-Sn
  • Density: 3.4823201386627307
  • Atomic Density: 0.04264504563768875
  • Unit Cell Volume: 468.98765614930994
  • Molar Volume: 14.121548400168122
  • Full Formula: Sn4 P4 S12
  • Reduced Formula: SnPS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m