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  1. Third-Parties
  2. MatprojStructure
  3. mp-866139

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-866139
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Be', 'Ir']
  • Chemical System: Be-Ir-Ti
  • Density: 9.349643674601415
  • Atomic Density: 0.08725772293648126
  • Unit Cell Volume: 45.84121456976108
  • Molar Volume: 6.9015561687116005
  • Full Formula: Ti1 Be2 Ir1
  • Reduced Formula: TiBe2Ir
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -26.46002425
  • Final energy per atom: -6.6150060625
  • 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.