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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96470
  • 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: 26
  • Number of elements: 3
  • Element list: ['Ca', 'Se', 'O']
  • Chemical System: Ca-O-Se
  • Density: 3.7901018885762943
  • Atomic Density: 0.06667371905234225
  • Unit Cell Volume: 389.95874790768283
  • Molar Volume: 9.03225565574393
  • Full Formula: Ca4 Se6 O16
  • Reduced Formula: Ca2Se3O8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1