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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218049

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-1218049
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ta', 'Mo', 'N']
  • Chemical System: Mo-N-Ta
  • Density: 12.501988229003617
  • Atomic Density: 0.08490982819318665
  • Unit Cell Volume: 117.77199663209802
  • Molar Volume: 7.092395413047402
  • Full Formula: Ta3 Mo3 N4
  • Reduced Formula: Ta3Mo3N4
  • Formula Anonymous: A3B3C4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -110.07496621
  • Final energy per atom: -11.007496621
  • 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.