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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222740

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-1222740
  • 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: 12
  • Number of elements: 4
  • Element list: ['La', 'Y', 'Co', 'B']
  • Chemical System: B-Co-La-Y
  • Density: 7.917960647244753
  • Atomic Density: 0.07937269687475758
  • Unit Cell Volume: 151.18548912272487
  • Molar Volume: 7.587169136387485
  • Full Formula: La1 Y1 Co8 B2
  • Reduced Formula: LaY(Co4B)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -84.73495887
  • Final energy per atom: -7.0612465725
  • 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.