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  1. Third-Parties
  2. MatprojStructure
  3. mp-734336

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-734336
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 3
  • Element list: ['Pr', 'N', 'O']
  • Chemical System: N-O-Pr
  • Density: 2.1551423988602685
  • Atomic Density: 0.06033946887515749
  • Unit Cell Volume: 2717.955644245335
  • Molar Volume: 9.98043382261091
  • Full Formula: Pr8 N48 O108
  • Reduced Formula: Pr2(N4O9)3
  • Formula Anonymous: A2B12C27
  • Spacegroup Number: 212
  • Spacegroup Symbol: P4_332
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -1085.16704549
  • Final energy per atom: -6.616872228597561
  • 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.