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  1. Third-Parties
  2. MatprojStructure
  3. mp-649608

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-649608
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 4
  • Element list: ['K', 'Pr', 'N', 'O']
  • Chemical System: K-N-O-Pr
  • Density: 2.481930014433085
  • Atomic Density: 0.06402393096395774
  • Unit Cell Volume: 2561.542184785932
  • Molar Volume: 9.406077804548055
  • Full Formula: K12 Pr8 N36 O108
  • Reduced Formula: K3Pr2(NO3)9
  • Formula Anonymous: A2B3C9D27
  • Spacegroup Number: 212
  • Spacegroup Symbol: P4_332
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -1127.06435389
  • Final energy per atom: -6.872343621280487
  • 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.