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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52877
  • 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: 21
  • Number of elements: 4
  • Element list: ['Mg', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Mg-O
  • Density: 1.625916715198869
  • Atomic Density: 0.10114056826664125
  • Unit Cell Volume: 207.6318173795187
  • Molar Volume: 5.954228716733696
  • Full Formula: Mg1 H12 Cl2 O6
  • Reduced Formula: MgH12(ClO3)2
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m