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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195553

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-1195553
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 3
  • Element list: ['Zr', 'Zn', 'Fe']
  • Chemical System: Fe-Zn-Zr
  • Density: 7.329649009949858
  • Atomic Density: 0.06718470827857376
  • Unit Cell Volume: 684.6796120519899
  • Molar Volume: 8.963558694085382
  • Full Formula: Zr2 Zn40 Fe4
  • Reduced Formula: Zr(Zn10Fe)2
  • Formula Anonymous: AB2C20
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -107.49569773999998
  • Final energy per atom: -2.336862994347826
  • 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.