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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13348
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'Se']
  • Chemical System: Al-Ca-Se
  • Density: 3.84766090189528
  • Atomic Density: 0.03957198756278317
  • Unit Cell Volume: 353.7856160949262
  • Molar Volume: 15.218191278478336
  • Full Formula: Ca2 Al4 Se8
  • Reduced Formula: Ca(AlSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 66
  • Spacegroup Symbol: Cccm
  • Crystal System: orthorhombic
  • Pointgroup: mmm