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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12586
  • 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: 16
  • Number of elements: 3
  • Element list: ['P', 'H', 'F']
  • Chemical System: F-H-P
  • Density: 2.199957100363117
  • Atomic Density: 0.07572868660302293
  • Unit Cell Volume: 211.28056906458107
  • Molar Volume: 7.952258292248805
  • Full Formula: P4 H4 F8
  • Reduced Formula: PHF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222