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  1. Third-Parties
  2. MatprojStructure
  3. mp-1097682

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-1097682
  • 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', 'Mo', 'W']
  • Chemical System: Mo-Ti-W
  • Density: 1.117449796869983
  • Atomic Density: 0.005262647904099221
  • Unit Cell Volume: 760.0736497846055
  • Molar Volume: 114.43176267424596
  • Full Formula: Ti1 Mo1 W2
  • Reduced Formula: TiMoW2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -25.69342732
  • Final energy per atom: -6.42335683
  • 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.