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  1. Third-Parties
  2. MatprojStructure
  3. mp-6084

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-6084
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['La', 'Co', 'Si', 'B']
  • Chemical System: B-Co-La-Si
  • Density: 7.8895116165562875
  • Atomic Density: 0.09315111838538816
  • Unit Cell Volume: 987.6424630713964
  • Molar Volume: 6.46491514474897
  • Full Formula: La6 Co58 Si8 B20
  • Reduced Formula: La3Co29(Si2B5)2
  • Formula Anonymous: A3B4C10D29
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -654.63163951
  • Final energy per atom: -7.115561299021739
  • 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.