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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227797

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-1227797
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 3
  • Element list: ['Ce', 'Hf', 'Co']
  • Chemical System: Ce-Co-Hf
  • Density: 9.406697427675722
  • Atomic Density: 0.07678937455649675
  • Unit Cell Volume: 494.86013161940804
  • Molar Volume: 7.842414129274215
  • Full Formula: Ce4 Hf2 Co32
  • Reduced Formula: Ce2HfCo16
  • Formula Anonymous: AB2C16
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -275.73819162
  • Final energy per atom: -7.256268200526316
  • 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.