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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99399
  • 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: 4
  • Number of elements: 2
  • Element list: ['Th', 'Zr']
  • Chemical System: Th-Zr
  • Density: 8.24238328067887
  • Atomic Density: 0.039261067759871864
  • Unit Cell Volume: 101.8820991946719
  • Molar Volume: 15.33870855686492
  • Full Formula: Th1 Zr3
  • Reduced Formula: ThZr3
  • Formula Anonymous: AB3
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm