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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222811

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-1222811
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['La', 'Y', 'B', 'Rh']
  • Chemical System: B-La-Rh-Y
  • Density: 8.984886241036863
  • Atomic Density: 0.0730790694128336
  • Unit Cell Volume: 164.2057034444482
  • Molar Volume: 8.240582164477365
  • Full Formula: La1 Y1 B4 Rh6
  • Reduced Formula: LaY(B2Rh3)2
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -90.43820756
  • Final energy per atom: -7.536517296666666
  • 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.