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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199122

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-1199122
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Si', 'N']
  • Chemical System: Ca-Li-N-Si
  • Density: 2.7500331480958247
  • Atomic Density: 0.08970375177331383
  • Unit Cell Volume: 1203.963021222588
  • Molar Volume: 6.7133655404049
  • Full Formula: Li24 Ca12 Si24 N48
  • Reduced Formula: Li2Ca(SiN2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -737.34478552
  • Final energy per atom: -6.827266532592592
  • 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.