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  1. Third-Parties
  2. MatprojStructure
  3. mp-1029442

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-1029442
  • 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: 12
  • Number of elements: 3
  • Element list: ['Mg', 'Ta', 'N']
  • Chemical System: Mg-N-Ta
  • Density: 5.567911616744399
  • Atomic Density: 0.0740798223188672
  • Unit Cell Volume: 161.98742956411965
  • Molar Volume: 8.129259184880949
  • Full Formula: Mg4 Ta2 N6
  • Reduced Formula: Mg2TaN3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -95.07328896
  • Final energy per atom: -7.92277408
  • 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.