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  1. Third-Parties
  2. MatprojStructure
  3. mp-7851

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-7851
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Ta', 'Co']
  • Chemical System: Co-Ta
  • Density: 12.349032535857638
  • Atomic Density: 0.08315095924601931
  • Unit Cell Volume: 144.31583362129976
  • Molar Volume: 7.242418866368397
  • Full Formula: Ta3 Co9
  • Reduced Formula: TaCo3
  • Formula Anonymous: AB3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -102.41267203
  • Final energy per atom: -8.534389335833334
  • 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.