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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245364

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-1245364
  • 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: 68
  • Number of elements: 3
  • Element list: ['Zr', 'Si', 'N']
  • Chemical System: N-Si-Zr
  • Density: 5.541741478896808
  • Atomic Density: 0.08513087862204838
  • Unit Cell Volume: 798.770094948702
  • Molar Volume: 7.073979333323012
  • Full Formula: Zr20 Si12 N36
  • Reduced Formula: Zr5(SiN3)3
  • Formula Anonymous: A3B5C9
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -615.52791579
  • Final energy per atom: -9.051881114558823
  • 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.