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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205196

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-1205196
  • 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: 52
  • Number of elements: 4
  • Element list: ['Li', 'Ce', 'Si', 'N']
  • Chemical System: Ce-Li-N-Si
  • Density: 5.08622842314427
  • Atomic Density: 0.07840639649953227
  • Unit Cell Volume: 663.2111960445753
  • Molar Volume: 7.680675338823823
  • Full Formula: Li10 Ce10 Si8 N24
  • Reduced Formula: Li5Ce5(SiN3)4
  • Formula Anonymous: A4B5C5D12
  • Spacegroup Number: 117
  • Spacegroup Symbol: P-4b2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -390.62192522
  • Final energy per atom: -7.511960100384615
  • 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.