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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13096
  • 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: 12
  • Number of elements: 3
  • Element list: ['Mg', 'H', 'O']
  • Chemical System: H-Mg-O
  • Density: 2.57504235300796
  • Atomic Density: 0.11856935899688797
  • Unit Cell Volume: 101.206585761461
  • Molar Volume: 5.079002544121082
  • Full Formula: Mg3 H4 O5
  • Reduced Formula: Mg3H4O5
  • Formula Anonymous: A3B4C5
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1