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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200080

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-1200080
  • 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: 40
  • Number of elements: 3
  • Element list: ['Pr', 'Rh', 'Pb']
  • Chemical System: Pb-Pr-Rh
  • Density: 11.070187143888582
  • Atomic Density: 0.03779323441148243
  • Unit Cell Volume: 1058.390492977947
  • Molar Volume: 15.934441319397472
  • Full Formula: Pr6 Rh8 Pb26
  • Reduced Formula: Pr3Rh4Pb13
  • Formula Anonymous: A3B4C13
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -195.70433256
  • Final energy per atom: -4.892608314
  • 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.