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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217063

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-1217063
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Ti', 'B', 'Ir', 'Rh']
  • Chemical System: B-Ir-Rh-Ti
  • Density: 8.491405288846275
  • Atomic Density: 0.08819429459635861
  • Unit Cell Volume: 238.11064078590695
  • Molar Volume: 6.828265691745376
  • Full Formula: Ti7 B8 Ir2 Rh4
  • Reduced Formula: Ti7B8(IrRh2)2
  • Formula Anonymous: A2B4C7D8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -174.02375505999998
  • Final energy per atom: -8.286845479047619
  • 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.