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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112340
  • 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: 12
  • Number of elements: 3
  • Element list: ['Zr', 'Cr', 'Fe']
  • Chemical System: Cr-Fe-Zr
  • Density: 7.87332694149521
  • Atomic Density: 0.07077126612936314
  • Unit Cell Volume: 169.56034074712102
  • Molar Volume: 8.509301994106053
  • Full Formula: Zr4 Cr2 Fe6
  • Reduced Formula: Zr2CrFe3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2