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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92163
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ca', 'Zn']
  • Chemical System: Ca-Zn
  • Density: 2.4985385656102985
  • Atomic Density: 0.032420400320170385
  • Unit Cell Volume: 246.75821152716586
  • Molar Volume: 18.575158543780596
  • Full Formula: Ca6 Zn2
  • Reduced Formula: Ca3Zn
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm