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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224296

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-1224296
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Hf', 'Ta', 'N']
  • Chemical System: Hf-N-Ta
  • Density: 14.374984937001756
  • Atomic Density: 0.08937194141510689
  • Unit Cell Volume: 44.75677641846398
  • Molar Volume: 6.738290188895968
  • Full Formula: Hf1 Ta1 N2
  • Reduced Formula: HfTaN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -44.49004904
  • Final energy per atom: -11.12251226
  • 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.