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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107506
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'Al']
  • Chemical System: Al-Ti-Zr
  • Density: 4.918062211179088
  • Atomic Density: 0.055375015027525926
  • Unit Cell Volume: 144.46948675360798
  • Molar Volume: 10.875194809439783
  • Full Formula: Zr2 Ti4 Al2
  • Reduced Formula: ZrTi2Al
  • Formula Anonymous: ABC2
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2