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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-756562
  • Created at: Sept. 4, 2022, 3:25 p.m.
  • Last updated at: Sept. 4, 2022, 3:25 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Cr', 'Zr']
  • Chemical System: Cr-Zr
  • Density: 7.027651098058815
  • Atomic Density: 0.05909995055066175
  • Unit Cell Volume: 270.72780689189335
  • Molar Volume: 10.18975600468175
  • Full Formula: Zr8 Cr8
  • Reduced Formula: ZrCr
  • Formula Anonymous: AB
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm