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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96729
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ba', 'Zn', 'As']
  • Chemical System: As-Ba-Zn
  • Density: 5.829364179331779
  • Atomic Density: 0.041993113252203625
  • Unit Cell Volume: 476.2685700363138
  • Molar Volume: 14.340781841613
  • Full Formula: Ba4 Zn8 As8
  • Reduced Formula: Ba(ZnAs)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm