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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106682
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Ta', 'Te']
  • Chemical System: Ta-Te-Zr
  • Density: 7.431297196849238
  • Atomic Density: 0.034311724385715205
  • Unit Cell Volume: 174.86734075358638
  • Molar Volume: 17.551262339083028
  • Full Formula: Zr1 Ta1 Te4
  • Reduced Formula: ZrTaTe4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1