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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52907
  • 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: 22
  • Number of elements: 4
  • Element list: ['Mg', 'H', 'N', 'Cl']
  • Chemical System: Cl-H-Mg-N
  • Density: 1.7426351727601994
  • Atomic Density: 0.08929876667875764
  • Unit Cell Volume: 246.36398483690766
  • Molar Volume: 6.743811794919834
  • Full Formula: Mg2 H12 N4 Cl4
  • Reduced Formula: MgH6(NCl)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm