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  1. Third-Parties
  2. MatprojStructure
  3. mp-561257

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-561257
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Li', 'Pr', 'C', 'N', 'F']
  • Chemical System: C-F-Li-N-Pr
  • Density: 4.687904027379905
  • Atomic Density: 0.07956196482669126
  • Unit Cell Volume: 301.65167554972874
  • Molar Volume: 7.5691202110429865
  • Full Formula: Li2 Pr4 C4 N8 F6
  • Reduced Formula: LiPr2C2N4F3
  • Formula Anonymous: AB2C2D3E4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -187.92503531
  • Final energy per atom: -7.830209804583333
  • 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.