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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37101
  • 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: 4
  • Number of elements: 2
  • Element list: ['Sc', 'Al']
  • Chemical System: Al-Sc
  • Density: 2.9580028153187063
  • Atomic Density: 0.04952499478340285
  • Unit Cell Volume: 80.7672977552843
  • Molar Volume: 12.159800897178853
  • Full Formula: Sc2 Al2
  • Reduced Formula: ScAl
  • Formula Anonymous: AB
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm