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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112937
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ba', 'Ga', 'As']
  • Chemical System: As-Ba-Ga
  • Density: 5.347529690888102
  • Atomic Density: 0.037743030536506
  • Unit Cell Volume: 529.8991553064479
  • Molar Volume: 15.95563650930265
  • Full Formula: Ba4 Ga8 As8
  • Reduced Formula: Ba(GaAs)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m