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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247358

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-1247358
  • 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: 24
  • Number of elements: 3
  • Element list: ['Li', 'Zr', 'N']
  • Chemical System: Li-N-Zr
  • Density: 2.6026179157820994
  • Atomic Density: 0.06714245327910244
  • Unit Cell Volume: 357.4489585632971
  • Molar Volume: 8.969199762431595
  • Full Formula: Li12 Zr4 N8
  • Reduced Formula: Li3ZrN2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -140.06422041000002
  • Final energy per atom: -5.836009183750001
  • 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.