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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40482
  • 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: 11
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'P', 'S']
  • Chemical System: Fe-Li-P-S
  • Density: 2.6564471414737874
  • Atomic Density: 0.05430168121173761
  • Unit Cell Volume: 202.57199693519414
  • Molar Volume: 11.09015526889116
  • Full Formula: Li2 Fe1 P2 S6
  • Reduced Formula: Li2Fe(PS3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 149
  • Spacegroup Symbol: P312
  • Crystal System: trigonal
  • Pointgroup: 312