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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190760

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-1190760
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ta', 'Al', 'C']
  • Chemical System: Al-C-Ta
  • Density: 11.320908960765507
  • Atomic Density: 0.06718872232333573
  • Unit Cell Volume: 357.20280383519685
  • Molar Volume: 8.963023185675931
  • Full Formula: Ta12 Al8 C4
  • Reduced Formula: Ta3Al2C
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -219.97343825
  • Final energy per atom: -9.165559927083333
  • 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.