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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-757864
  • Created at: Sept. 4, 2022, 3:24 p.m.
  • Last updated at: Sept. 4, 2022, 3:24 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Sc', 'Zr']
  • Chemical System: Sc-Zr
  • Density: 5.398895536074727
  • Atomic Density: 0.04289228174493335
  • Unit Cell Volume: 279.77061400836993
  • Molar Volume: 14.040150150583596
  • Full Formula: Zr8 Sc4
  • Reduced Formula: Zr2Sc
  • Formula Anonymous: AB2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm