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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-27665
  • 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: 26
  • Number of elements: 3
  • Element list: ['Ca', 'Cr', 'O']
  • Chemical System: Ca-Cr-O
  • Density: 3.7761223553816206
  • Atomic Density: 0.0811843880343502
  • Unit Cell Volume: 320.2586190463005
  • Molar Volume: 7.417855705769379
  • Full Formula: Ca4 Cr6 O16
  • Reduced Formula: Ca2Cr3O8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm