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  1. Third-Parties
  2. MatprojStructure
  3. mp-11670

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-11670
  • 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: 26
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Si', 'N']
  • Chemical System: Ba-N-Si-Y
  • Density: 4.516924042573491
  • Atomic Density: 0.08099005172052903
  • Unit Cell Volume: 321.0270823102787
  • Molar Volume: 7.435654913248476
  • Full Formula: Ba2 Y2 Si8 N14
  • Reduced Formula: BaYSi4N7
  • Formula Anonymous: ABC4D7
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -214.33271577
  • Final energy per atom: -8.243565991153845
  • 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.