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  1. Third-Parties
  2. MatprojStructure
  3. mp-532803

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-532803
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 4
  • Element list: ['Y', 'Al', 'Si', 'N']
  • Chemical System: Al-N-Si-Y
  • Density: 3.3159753098736515
  • Atomic Density: 0.0926004945891034
  • Unit Cell Volume: 928.7207415209626
  • Molar Volume: 6.503357014152109
  • Full Formula: Y2 Al6 Si30 N48
  • Reduced Formula: YAl3(Si5N8)3
  • Formula Anonymous: AB3C15D24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -714.10367101
  • Final energy per atom: -8.303531058255814
  • 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.