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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246686

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-1246686
  • 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', 'Au', 'N']
  • Chemical System: Au-Li-N
  • Density: 6.0414115823506656
  • Atomic Density: 0.08880827867603899
  • Unit Cell Volume: 540.4901515442916
  • Molar Volume: 6.7810578583196985
  • Full Formula: Li24 Au8 N16
  • Reduced Formula: Li3AuN2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -204.81959106000005
  • Final energy per atom: -4.267074813750001
  • 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.