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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98020
  • 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: 30
  • Number of elements: 4
  • Element list: ['Cu', 'H', 'C', 'O']
  • Chemical System: C-Cu-H-O
  • Density: 3.7616518464673985
  • Atomic Density: 0.0985863233081451
  • Unit Cell Volume: 304.3018442449758
  • Molar Volume: 6.1084951319028
  • Full Formula: Cu6 H4 C4 O16
  • Reduced Formula: Cu3H2(CO4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m