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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95564
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['P', 'H', 'S', 'F']
  • Chemical System: F-H-P-S
  • Density: 2.094182959588307
  • Atomic Density: 0.06179454608105394
  • Unit Cell Volume: 323.65315822154656
  • Molar Volume: 9.745424381143524
  • Full Formula: P4 H4 S4 F8
  • Reduced Formula: PHSF2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m