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  1. Third-Parties
  2. MatprojStructure
  3. mp-1029387

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-1029387
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ta', 'Zn', 'N']
  • Chemical System: N-Ta-Zn
  • Density: 7.510287558862873
  • Atomic Density: 0.07670401553477982
  • Unit Cell Volume: 156.44552526143633
  • Molar Volume: 7.851141453304213
  • Full Formula: Ta2 Zn4 N6
  • Reduced Formula: TaZn2N3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -86.97917169
  • Final energy per atom: -7.2482643075
  • 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.