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  1. Third-Parties
  2. MatprojStructure
  3. mp-862839

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-862839
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Pr', 'C', 'Br']
  • Chemical System: Br-C-Pr
  • Density: 4.909950236245401
  • Atomic Density: 0.03228868531930851
  • Unit Cell Volume: 898.1474381262005
  • Molar Volume: 18.65093205389438
  • Full Formula: Pr10 C4 Br15
  • Reduced Formula: Pr10C4Br15
  • Formula Anonymous: A4B10C15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -161.25259518
  • Final energy per atom: -5.560434316551723
  • 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.