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  1. Third-Parties
  2. MatprojStructure
  3. mp-567219

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-567219
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Si', 'N']
  • Chemical System: Ca-Li-N-Si
  • Density: 2.810967930414013
  • Atomic Density: 0.08810290175321801
  • Unit Cell Volume: 170.25545925849275
  • Molar Volume: 6.835348938753924
  • Full Formula: Li4 Ca3 Si2 N6
  • Reduced Formula: Li4Ca3(SiN3)2
  • Formula Anonymous: A2B3C4D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -91.47338306
  • Final energy per atom: -6.098225537333334
  • 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.