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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215225

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-1215225
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 4
  • Element list: ['Zr', 'Ta', 'C', 'N']
  • Chemical System: C-N-Ta-Zr
  • Density: 10.441562308478373
  • Atomic Density: 0.08434985724194712
  • Unit Cell Volume: 47.42153846836392
  • Molar Volume: 7.139479492806059
  • Full Formula: Zr1 Ta1 C1 N1
  • Reduced Formula: ZrTaCN
  • Formula Anonymous: ABCD
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -42.54721039
  • Final energy per atom: -10.6368025975
  • 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.