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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226667

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-1226667
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Ce', 'Al', 'Cu', 'Ni']
  • Chemical System: Al-Ce-Cu-Ni
  • Density: 7.464233540287021
  • Atomic Density: 0.06552951787300179
  • Unit Cell Volume: 91.56179069756294
  • Molar Volume: 9.189966530306378
  • Full Formula: Ce1 Al1 Cu2 Ni2
  • Reduced Formula: CeAl(CuNi)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -31.16169105
  • Final energy per atom: -5.193615175000001
  • 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.