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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209658

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-1209658
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Pr', 'C', 'Br']
  • Chemical System: Br-C-Pr
  • Density: 5.4040949188632945
  • Atomic Density: 0.044830523082948374
  • Unit Cell Volume: 624.574465664667
  • Molar Volume: 13.433126240480041
  • Full Formula: Pr10 C12 Br6
  • Reduced Formula: Pr5(C2Br)3
  • Formula Anonymous: A3B5C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -192.73200881
  • Final energy per atom: -6.8832860289285716
  • 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.