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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208747

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-1208747
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Sm', 'Si', 'N', 'O']
  • Chemical System: N-O-Si-Sm
  • Density: 6.140075300839141
  • Atomic Density: 0.07451656655496912
  • Unit Cell Volume: 563.6330542553593
  • Molar Volume: 8.081613308844027
  • Full Formula: Sm10 Si6 N2 O24
  • Reduced Formula: Sm5Si3NO12
  • Formula Anonymous: AB3C5D12
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -361.72059047
  • Final energy per atom: -8.612395011190475
  • 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.