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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98331
  • 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: 44
  • Number of elements: 4
  • Element list: ['Cu', 'H', 'Se', 'O']
  • Chemical System: Cu-H-O-Se
  • Density: 3.3553360737658715
  • Atomic Density: 0.0981171134811159
  • Unit Cell Volume: 448.4436857028866
  • Molar Volume: 6.137706814172689
  • Full Formula: Cu4 H16 Se4 O20
  • Reduced Formula: CuH4SeO5
  • Formula Anonymous: ABC4D5
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222