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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104580

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-1104580
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Y', 'Fe', 'B']
  • Chemical System: B-Fe-Y
  • Density: 5.386082593374937
  • Atomic Density: 0.07170871105612023
  • Unit Cell Volume: 181.2889927672249
  • Molar Volume: 8.398060251406541
  • Full Formula: Y4 Fe3 B6
  • Reduced Formula: Y4(FeB2)3
  • Formula Anonymous: A3B4C6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -96.36573609
  • Final energy per atom: -7.41274893
  • 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.