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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214426

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-1214426
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Ca', 'Rh', 'Pb']
  • Chemical System: Ca-Pb-Rh
  • Density: 8.959321091104492
  • Atomic Density: 0.03318823957680096
  • Unit Cell Volume: 873.8035029815622
  • Molar Volume: 18.145405832882922
  • Full Formula: Ca4 Rh6 Pb19
  • Reduced Formula: Ca4Rh6Pb19
  • Formula Anonymous: A4B6C19
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -122.82284883
  • Final energy per atom: -4.235270649310345
  • 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.