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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209017

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-1209017
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 97
  • Number of elements: 6
  • Element list: ['Sr', 'Pr', 'Al', 'Si', 'N', 'O']
  • Chemical System: Al-N-O-Pr-Si-Sr
  • Density: 4.58948891897734
  • Atomic Density: 0.07884976883605141
  • Unit Cell Volume: 1230.1875
  • Molar Volume: 7.637486892981959
  • Full Formula: Sr1 Pr12 Al12 Si18 N36 O18
  • Reduced Formula: SrPr12Al12Si18(N2O)18
  • Formula Anonymous: AB12C12D18E18F36
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -730.31072535
  • Final energy per atom: -7.528976549999999
  • 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.