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  1. Third-Parties
  2. MatprojStructure
  3. mp-10739

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-10739
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ti', 'P', 'Ru']
  • Chemical System: P-Ru-Ti
  • Density: 7.173677561144605
  • Atomic Density: 0.0720372070710183
  • Unit Cell Volume: 124.93543775409418
  • Molar Volume: 8.359764356304149
  • Full Formula: Ti3 P3 Ru3
  • Reduced Formula: TiPRu
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -76.90291554
  • Final energy per atom: -8.544768393333333
  • 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.