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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86311
  • 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: 12
  • Number of elements: 2
  • Element list: ['Zr', 'Te']
  • Chemical System: Te-Zr
  • Density: 5.859374142267559
  • Atomic Density: 0.029033034455064766
  • Unit Cell Volume: 413.32228012792575
  • Molar Volume: 20.742374584787665
  • Full Formula: Zr2 Te10
  • Reduced Formula: ZrTe5
  • Formula Anonymous: AB5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm