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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98336
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['Mg', 'Cu', 'P', 'H', 'O']
  • Chemical System: Cu-H-Mg-O-P
  • Density: 2.791824940995568
  • Atomic Density: 0.11328989368035189
  • Unit Cell Volume: 582.5762374375546
  • Molar Volume: 5.315691068606267
  • Full Formula: Mg4 Cu4 P4 H24 O30
  • Reduced Formula: Mg2Cu2P2(H4O5)3
  • Formula Anonymous: A2B2C2D12E15
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m