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  1. Third-Parties
  2. MatprojStructure
  3. mp-972275

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-972275
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Re', 'Ru']
  • Chemical System: Re-Ru-Ti
  • Density: 10.643472503518101
  • Atomic Density: 0.06693958096610905
  • Unit Cell Volume: 59.75537854091388
  • Molar Volume: 8.99638251851167
  • Full Formula: Ti2 Re1 Ru1
  • Reduced Formula: Ti2ReRu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -39.79906762
  • Final energy per atom: -9.949766905
  • 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.