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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218409

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-1218409
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Al', 'Si', 'N']
  • Chemical System: Al-Ca-N-Si-Sr
  • Density: 3.636323996296508
  • Atomic Density: 0.08164153242172145
  • Unit Cell Volume: 146.9840122306094
  • Molar Volume: 7.376320092685762
  • Full Formula: Sr1 Ca1 Al2 Si2 N6
  • Reduced Formula: SrCaAl2(SiN3)2
  • Formula Anonymous: ABC2D2E6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -89.46070757999999
  • Final energy per atom: -7.455058964999999
  • 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.