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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118021
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Mg', 'H', 'Cl']
  • Chemical System: Cl-H-Mg
  • Density: 2.257294404338637
  • Atomic Density: 0.0880226053107581
  • Unit Cell Volume: 45.44287215628598
  • Molar Volume: 6.841584316595973
  • Full Formula: Mg1 H2 Cl1
  • Reduced Formula: MgH2Cl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2