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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95045
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Sc', 'Al', 'Ge']
  • Chemical System: Al-Ge-Sc
  • Density: 4.405206058716261
  • Atomic Density: 0.05504752821716015
  • Unit Cell Volume: 108.99671964071223
  • Molar Volume: 10.93989313424376
  • Full Formula: Sc2 Al2 Ge2
  • Reduced Formula: ScAlGe
  • Formula Anonymous: ABC
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm