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  1. Third-Parties
  2. MatprojStructure
  3. mp-28618

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-28618
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 79
  • Number of elements: 3
  • Element list: ['Y', 'Fe', 'B']
  • Chemical System: B-Fe-Y
  • Density: 7.234520628009663
  • Atomic Density: 0.08869606822611717
  • Unit Cell Volume: 890.6820965118936
  • Molar Volume: 6.789636655198137
  • Full Formula: Y3 Fe62 B14
  • Reduced Formula: Y3(Fe31B7)2
  • Formula Anonymous: A3B14C62
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -631.55957958
  • Final energy per atom: -7.994425057974683
  • 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.