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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-68662
  • 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: 3
  • Element list: ['Mg', 'Be', 'Cl']
  • Chemical System: Be-Cl-Mg
  • Density: 1.932622041461834
  • Atomic Density: 0.05001772426760872
  • Unit Cell Volume: 79.97165122105294
  • Molar Volume: 12.040013511570168
  • Full Formula: Mg2 Be1 Cl1
  • Reduced Formula: Mg2BeCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2