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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019579

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-1019579
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Ca', 'Mg', 'Si', 'N']
  • Chemical System: Ca-Mg-N-Si
  • Density: 2.9386994744926676
  • Atomic Density: 0.08080724213688725
  • Unit Cell Volume: 891.0092473893886
  • Molar Volume: 7.452476536445223
  • Full Formula: Ca8 Mg24 Si8 N32
  • Reduced Formula: CaMg3SiN4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -448.55805221
  • Final energy per atom: -6.229972947361111
  • 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.