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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-122141
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Zr', 'U', 'B']
  • Chemical System: B-U-Zr
  • Density: 4.755169514059364
  • Atomic Density: 0.12646890067957822
  • Unit Cell Volume: 205.58413855334786
  • Molar Volume: 4.761756232275398
  • Full Formula: Zr1 U1 B24
  • Reduced Formula: ZrUB24
  • Formula Anonymous: ABC24
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m