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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22927
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 41
  • Number of elements: 4
  • Element list: ['Ca', 'P', 'Se', 'O']
  • Chemical System: Ca-O-P-Se
  • Density: 3.234995492736705
  • Atomic Density: 0.07610230077558938
  • Unit Cell Volume: 538.7484948832347
  • Molar Volume: 7.913217732743852
  • Full Formula: Ca10 P6 Se1 O24
  • Reduced Formula: Ca10P6SeO24
  • Formula Anonymous: AB6C10D24
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3