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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58264
  • 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: 13
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'Al']
  • Chemical System: Al-Ca-Mn
  • Density: 4.088652599843657
  • Atomic Density: 0.0672910495597787
  • Unit Cell Volume: 193.1906261686603
  • Molar Volume: 8.949393417693937
  • Full Formula: Ca1 Mn4 Al8
  • Reduced Formula: Ca(MnAl2)4
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm