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  1. Third-Parties
  2. MatprojStructure
  3. mp-686466

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-686466
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 5
  • Element list: ['Pr', 'Si', 'N', 'Cl', 'O']
  • Chemical System: Cl-N-O-Pr-Si
  • Density: 4.875165161308356
  • Atomic Density: 0.06538695416953737
  • Unit Cell Volume: 2324.622731407393
  • Molar Volume: 9.210003488441442
  • Full Formula: Pr32 Si32 N54 Cl6 O28
  • Reduced Formula: Pr16Si16N27Cl3O14
  • Formula Anonymous: A3B14C16D16E27
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1260.06146759
  • Final energy per atom: -8.28987807625
  • 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.