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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218084

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-1218084
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ta', 'Cr', 'Co', 'C']
  • Chemical System: C-Co-Cr-Ta
  • Density: 12.895965972545252
  • Atomic Density: 0.0753733866184605
  • Unit Cell Volume: 371.48390507827094
  • Molar Volume: 7.989744165913665
  • Full Formula: Ta12 Cr6 Co6 C4
  • Reduced Formula: Ta6Cr3Co3C2
  • Formula Anonymous: A2B3C3D6
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -289.11007837
  • Final energy per atom: -10.325359941785715
  • 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.