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  1. Third-Parties
  2. MatprojStructure
  3. mp-695170

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-695170
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 5
  • Element list: ['Nd', 'Al', 'Si', 'N', 'O']
  • Chemical System: Al-N-Nd-O-Si
  • Density: 4.939427170997082
  • Atomic Density: 0.08364450720656524
  • Unit Cell Volume: 274.9732261940415
  • Molar Volume: 7.199684666834075
  • Full Formula: Nd3 Al3 Si3 N2 O12
  • Reduced Formula: Nd3Al3Si3(NO6)2
  • Formula Anonymous: A2B3C3D3E12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -192.50704761
  • Final energy per atom: -8.369871635217391
  • 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.