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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21027
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Sc', 'Fe', 'Si']
  • Chemical System: Fe-Sc-Si
  • Density: 4.345715501898301
  • Atomic Density: 0.06328750728705541
  • Unit Cell Volume: 252.8145077262757
  • Molar Volume: 9.515528448110874
  • Full Formula: Sc6 Fe4 Si6
  • Reduced Formula: Sc3Fe2Si3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm