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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216176

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1216176
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Y', 'Cr', 'Fe']
  • Chemical System: Cr-Fe-Y
  • Density: 7.536646900105688
  • Atomic Density: 0.07893356542077733
  • Unit Cell Volume: 164.69546169237236
  • Molar Volume: 7.629378868035802
  • Full Formula: Y1 Cr3 Fe9
  • Reduced Formula: Y(CrFe3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -111.61093985
  • Final energy per atom: -8.585456911538461
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.