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  1. Third-Parties
  2. MatprojStructure
  3. mp-504492

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-504492
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 3
  • Element list: ['Y', 'Fe', 'O']
  • Chemical System: Fe-O-Y
  • Density: 5.658467742615009
  • Atomic Density: 0.05431564561499542
  • Unit Cell Volume: 423.4507339382555
  • Molar Volume: 11.087304020441234
  • Full Formula: Y6 Fe16 O1
  • Reduced Formula: Y6Fe16O
  • Formula Anonymous: AB6C16
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -161.41588529
  • Final energy per atom: -7.018081969130435
  • 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.