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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246577

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-1246577
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Mg', 'Si', 'N']
  • Chemical System: Mg-N-Si
  • Density: 2.7638753885166762
  • Atomic Density: 0.08267018711988941
  • Unit Cell Volume: 629.0054711572009
  • Molar Volume: 7.284537473305353
  • Full Formula: Mg20 Si8 N24
  • Reduced Formula: Mg5(SiN3)2
  • Formula Anonymous: A2B5C6
  • Spacegroup Number: 117
  • Spacegroup Symbol: P-4b2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -324.33036986
  • Final energy per atom: -6.237122497307693
  • 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.