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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50222
  • 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', 'Pr', 'O']
  • Chemical System: Ca-O-Pr
  • Density: 4.444853919351679
  • Atomic Density: 0.06573069885316457
  • Unit Cell Volume: 212.99028071000006
  • Molar Volume: 9.161838935339523
  • Full Formula: Ca4 Pr2 O8
  • Reduced Formula: Ca2PrO4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm