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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-3846
  • 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: 6
  • Number of elements: 3
  • Element list: ['B', 'P', 'S']
  • Chemical System: B-P-S
  • Density: 2.1618029796465414
  • Atomic Density: 0.04593619358878411
  • Unit Cell Volume: 130.61595947002832
  • Molar Volume: 13.109794890516092
  • Full Formula: B1 P1 S4
  • Reduced Formula: BPS4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 23
  • Spacegroup Symbol: I222
  • Crystal System: orthorhombic
  • Pointgroup: 222