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  1. Third-Parties
  2. MatprojStructure
  3. mp-686280

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-686280
  • 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: 72
  • Number of elements: 5
  • Element list: ['Nd', 'Al', 'Si', 'N', 'O']
  • Chemical System: Al-N-Nd-O-Si
  • Density: 4.864776543100767
  • Atomic Density: 0.07366914475996961
  • Unit Cell Volume: 977.3426885107998
  • Molar Volume: 8.174576723567878
  • Full Formula: Nd12 Al3 Si15 N21 O21
  • Reduced Formula: Nd4AlSi5(NO)7
  • Formula Anonymous: AB4C5D7E7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -564.4775591900001
  • Final energy per atom: -7.839966099861112
  • 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.