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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-19109
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ba', 'Ga', 'S']
  • Chemical System: Ba-Ga-S
  • Density: 3.844019890932154
  • Atomic Density: 0.043359141545497075
  • Unit Cell Volume: 553.5164937436923
  • Molar Volume: 13.888975992942395
  • Full Formula: Ba2 Ga8 S14
  • Reduced Formula: BaGa4S7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2