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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-25790
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ga', 'Bi', 'S']
  • Chemical System: Bi-Ga-S
  • Density: 4.5888737483479245
  • Atomic Density: 0.04058095753597967
  • Unit Cell Volume: 689.9787905491089
  • Molar Volume: 14.839819278933186
  • Full Formula: Ga8 Bi4 S16
  • Reduced Formula: Ga2BiS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 126
  • Spacegroup Symbol: P4/nnc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm