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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216984

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-1216984
  • 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: 14
  • Number of elements: 3
  • Element list: ['U', 'Fe', 'Ni']
  • Chemical System: Fe-Ni-U
  • Density: 18.31235284887019
  • Atomic Density: 0.05196814300361853
  • Unit Cell Volume: 269.39581041071995
  • Molar Volume: 11.588139217483066
  • Full Formula: U12 Fe1 Ni1
  • Reduced Formula: U12FeNi
  • Formula Anonymous: ABC12
  • Spacegroup Number: 97
  • Spacegroup Symbol: I422
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -149.87652878
  • Final energy per atom: -10.705466341428572
  • 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.