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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49616
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Zn', 'Fe', 'O']
  • Chemical System: Fe-O-Zn
  • Density: 6.0884946556645945
  • Atomic Density: 0.10831697267625126
  • Unit Cell Volume: 184.64326970970677
  • Molar Volume: 5.559738802892492
  • Full Formula: Zn4 Fe4 O12
  • Reduced Formula: ZnFeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm