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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207796

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-1207796
  • 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: 72
  • Number of elements: 4
  • Element list: ['Y', 'Si', 'N', 'O']
  • Chemical System: N-O-Si-Y
  • Density: 4.169869707407148
  • Atomic Density: 0.08230223101234825
  • Unit Cell Volume: 874.8244016519728
  • Molar Volume: 7.317105120876328
  • Full Formula: Y12 Si20 N36 O4
  • Reduced Formula: Y3Si5N9O
  • Formula Anonymous: AB3C5D9
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -631.83882307
  • Final energy per atom: -8.775539209305556
  • 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.