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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20934
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Sm', 'P', 'S']
  • Chemical System: P-S-Sm
  • Density: 3.6511257244144373
  • Atomic Density: 0.042612473023560124
  • Unit Cell Volume: 1126.430751237112
  • Molar Volume: 14.132342792380069
  • Full Formula: Sm8 P8 S32
  • Reduced Formula: SmPS4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm