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  1. Third-Parties
  2. MatprojStructure
  3. mp-31163

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-31163
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ce', 'Si', 'Rh']
  • Chemical System: Ce-Rh-Si
  • Density: 6.494062036455718
  • Atomic Density: 0.0502036684697153
  • Unit Cell Volume: 239.0263573515318
  • Molar Volume: 11.995419744341545
  • Full Formula: Ce4 Si6 Rh2
  • Reduced Formula: Ce2Si3Rh
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -81.29554186
  • Final energy per atom: -6.774628488333334
  • 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.