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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24028
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Mg', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Mg-O
  • Density: 1.949415085850192
  • Atomic Density: 0.0805056481014313
  • Unit Cell Volume: 111.79339850367579
  • Molar Volume: 7.480395353643433
  • Full Formula: Mg1 H4 Cl2 O2
  • Reduced Formula: MgH4(ClO)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m