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  1. Third-Parties
  2. MatprojStructure
  3. mp-31164

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-31164
  • 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: 20
  • Number of elements: 2
  • Element list: ['Ce', 'Ru']
  • Chemical System: Ce-Ru
  • Density: 8.605333899769322
  • Atomic Density: 0.040359535934056695
  • Unit Cell Volume: 495.5458366190813
  • Molar Volume: 14.92123390576035
  • Full Formula: Ce14 Ru6
  • Reduced Formula: Ce7Ru3
  • Formula Anonymous: A3B7
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -144.17613828
  • Final energy per atom: -7.208806914
  • 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.