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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90600
  • 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: 8
  • Number of elements: 2
  • Element list: ['Ca', 'Mg']
  • Chemical System: Ca-Mg
  • Density: 1.6967601283874854
  • Atomic Density: 0.028277844270781654
  • Unit Cell Volume: 282.90699684862733
  • Molar Volume: 21.29632196264138
  • Full Formula: Ca6 Mg2
  • Reduced Formula: Ca3Mg
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm