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  1. Third-Parties
  2. MatprojStructure
  3. mp-534935

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-534935
  • Created at: Sept. 4, 2022, 2:39 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: 4.419632802076008
  • Atomic Density: 0.0783886561410724
  • Unit Cell Volume: 1237.423943401117
  • Molar Volume: 7.682413574181237
  • Full Formula: Sr3 Pr10 Al12 Si18 N36 O18
  • Reduced Formula: Sr3Pr10Al12Si18(N2O)18
  • Formula Anonymous: A3B10C12D18E18F36
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -788.82501983
  • Final energy per atom: -8.13221669927835
  • 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.