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  1. Third-Parties
  2. MatprojStructure
  3. mp-39105

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-39105
  • 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: 24
  • Number of elements: 3
  • Element list: ['Mg', 'Ta', 'N']
  • Chemical System: Mg-N-Ta
  • Density: 11.372428081366834
  • Atomic Density: 0.09595940194875405
  • Unit Cell Volume: 250.1057688210365
  • Molar Volume: 6.275717269701255
  • Full Formula: Mg4 Ta8 N12
  • Reduced Formula: MgTa2N3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -234.41581984
  • Final energy per atom: -9.767325826666667
  • 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.