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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217823

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-1217823
  • 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: 24
  • Number of elements: 4
  • Element list: ['Ta', 'Al', 'V', 'C']
  • Chemical System: Al-C-Ta-V
  • Density: 7.266442214221148
  • Atomic Density: 0.07692423923621128
  • Unit Cell Volume: 311.99528572916
  • Molar Volume: 7.828664696322587
  • Full Formula: Ta4 Al6 V8 C6
  • Reduced Formula: Ta2Al3V4C3
  • Formula Anonymous: A2B3C3D4
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -209.75159658
  • Final energy per atom: -8.7396498575
  • 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.