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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218255

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-1218255
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ta', 'Ti', 'Ni', 'C']
  • Chemical System: C-Ni-Ta-Ti
  • Density: 10.154379806994188
  • Atomic Density: 0.07291956626434552
  • Unit Cell Volume: 383.9847304973723
  • Molar Volume: 8.258607488378003
  • Full Formula: Ta8 Ti8 Ni8 C4
  • Reduced Formula: Ta2Ti2Ni2C
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -254.61194886000004
  • Final energy per atom: -9.093283887857144
  • 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.