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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218078

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-1218078
  • 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: 28
  • Number of elements: 4
  • Element list: ['Ta', 'Cr', 'Fe', 'C']
  • Chemical System: C-Cr-Fe-Ta
  • Density: 12.740099030525394
  • Atomic Density: 0.07494372094498479
  • Unit Cell Volume: 373.61368833760514
  • Molar Volume: 8.035550789399387
  • Full Formula: Ta12 Cr6 Fe6 C4
  • Reduced Formula: Ta6Cr3Fe3C2
  • Formula Anonymous: A2B3C3D6
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -296.84248027
  • Final energy per atom: -10.6015171525
  • 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.