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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208217

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-1208217
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ti', 'As', 'Ru']
  • Chemical System: As-Ru-Ti
  • Density: 8.181825428663004
  • Atomic Density: 0.0660311077021611
  • Unit Cell Volume: 272.5987890615212
  • Molar Volume: 9.12015710407794
  • Full Formula: Ti6 As6 Ru6
  • Reduced Formula: TiAsRu
  • Formula Anonymous: ABC
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -143.87931718
  • Final energy per atom: -7.993295398888888
  • 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.