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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212042

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-1212042
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Ta', 'Al', 'Co', 'C']
  • Chemical System: Al-C-Co-Ta
  • Density: 1.099291109894514
  • Atomic Density: 0.00507017626865766
  • Unit Cell Volume: 7100.344858331932
  • Molar Volume: 118.7757671706032
  • Full Formula: Ta24 Al8 Co2 C2
  • Reduced Formula: Ta12Al4CoC
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -202.64043222
  • Final energy per atom: -5.628900895
  • 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.