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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245229

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-1245229
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 105
  • Number of elements: 2
  • Element list: ['Si', 'N']
  • Chemical System: N-Si
  • Density: 2.9921005288874123
  • Atomic Density: 0.08991230881708771
  • Unit Cell Volume: 1167.8045128793856
  • Molar Volume: 6.697793482593232
  • Full Formula: Si45 N60
  • Reduced Formula: Si3N4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -842.52441334
  • Final energy per atom: -8.024042031809524
  • 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.