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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120655
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Ca', 'Nd', 'Cr', 'O']
  • Chemical System: Ca-Cr-Nd-O
  • Density: 5.646667579773067
  • Atomic Density: 0.07926218118404638
  • Unit Cell Volume: 176.62900251876835
  • Molar Volume: 7.597747967617268
  • Full Formula: Ca2 Nd2 Cr2 O8
  • Reduced Formula: CaNdCrO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2