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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-14933
  • 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: ['Zr', 'S']
  • Chemical System: S-Zr
  • Density: 5.65651988445274
  • Atomic Density: 0.055259364529982806
  • Unit Cell Volume: 72.3859210836503
  • Molar Volume: 10.897955145199846
  • Full Formula: Zr2 S2
  • Reduced Formula: ZrS
  • Formula Anonymous: AB
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm