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  1. Third-Parties
  2. MatprojStructure
  3. mp-559569

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-559569
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 4
  • Element list: ['Y', 'Si', 'N', 'O']
  • Chemical System: N-O-Si-Y
  • Density: 4.064010654053243
  • Atomic Density: 0.07507520610768247
  • Unit Cell Volume: 1198.7979076728805
  • Molar Volume: 8.021477491999523
  • Full Formula: Y18 Si18 N18 O36
  • Reduced Formula: YSiNO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 178
  • Spacegroup Symbol: P6_122
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -808.5605705400001
  • Final energy per atom: -8.984006339333334
  • 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.