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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-46323
  • 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: 12
  • Number of elements: 3
  • Element list: ['Sc', 'Cr', 'O']
  • Chemical System: Cr-O-Sc
  • Density: 3.41831018106706
  • Atomic Density: 0.07674033440543186
  • Unit Cell Volume: 156.37148434357894
  • Molar Volume: 7.84742574639307
  • Full Formula: Sc2 Cr2 O8
  • Reduced Formula: ScCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm