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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246634

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-1246634
  • 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: 48
  • Number of elements: 3
  • Element list: ['Li', 'W', 'N']
  • Chemical System: Li-N-W
  • Density: 6.5102295880949725
  • Atomic Density: 0.10109882817416807
  • Unit Cell Volume: 474.78295116643653
  • Molar Volume: 5.956687004942681
  • Full Formula: Li24 W8 N16
  • Reduced Formula: Li3WN2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -302.73978411
  • Final energy per atom: -6.307078835625
  • 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.