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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105330
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Zr', 'U', 'S']
  • Chemical System: S-U-Zr
  • Density: 8.512380039820322
  • Atomic Density: 0.052125041039660515
  • Unit Cell Volume: 76.73854869402423
  • Molar Volume: 11.553258548838203
  • Full Formula: Zr1 U1 S2
  • Reduced Formula: ZrUS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m