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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207450

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-1207450
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 2
  • Element list: ['Zn', 'Fe']
  • Chemical System: Fe-Zn
  • Density: 7.45901920031724
  • Atomic Density: 0.07190967506479076
  • Unit Cell Volume: 361.56469872202797
  • Molar Volume: 8.374590421350172
  • Full Formula: Zn18 Fe8
  • Reduced Formula: Zn9Fe4
  • Formula Anonymous: A4B9
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -91.55948117
  • Final energy per atom: -3.5215185065384613
  • 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.