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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59781
  • 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: 20
  • Number of elements: 2
  • Element list: ['Sc', 'As']
  • Chemical System: As-Sc
  • Density: 4.600190078478822
  • Atomic Density: 0.04865108550823015
  • Unit Cell Volume: 411.09051917488387
  • Molar Volume: 12.378224857863147
  • Full Formula: Sc12 As8
  • Reduced Formula: Sc3As2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm