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  1. Third-Parties
  2. MatprojStructure
  3. mp-677127

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-677127
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 57
  • Number of elements: 5
  • Element list: ['Y', 'Al', 'Si', 'N', 'O']
  • Chemical System: Al-N-O-Si-Y
  • Density: 3.202186401287651
  • Atomic Density: 0.09095226871739899
  • Unit Cell Volume: 626.7023440295559
  • Molar Volume: 6.621210053277072
  • Full Formula: Y1 Al6 Si18 N30 O2
  • Reduced Formula: YAl6Si18(N15O)2
  • Formula Anonymous: AB2C6D18E30
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -466.70674936
  • Final energy per atom: -8.187837708070175
  • 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.