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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217491

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-1217491
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Ti', 'Fe', 'B', 'Ru', 'Rh']
  • Chemical System: B-Fe-Rh-Ru-Ti
  • Density: 8.977897380577032
  • Atomic Density: 0.07882594190836513
  • Unit Cell Volume: 253.72357774360535
  • Molar Volume: 7.6397954965139725
  • Full Formula: Ti4 Fe2 B4 Ru2 Rh8
  • Reduced Formula: Ti2FeB2RuRh4
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -163.7971537
  • Final energy per atom: -8.189857685
  • 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.