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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245553

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-1245553
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Li', 'Ta', 'N']
  • Chemical System: Li-N-Ta
  • Density: 6.253364990178597
  • Atomic Density: 0.09833216843430426
  • Unit Cell Volume: 488.14137595337183
  • Molar Volume: 6.124283493273509
  • Full Formula: Li24 Ta8 N16
  • Reduced Formula: Li3TaN2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -306.85798518
  • Final energy per atom: -6.39287469125
  • 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.