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  1. Third-Parties
  2. MatprojStructure
  3. mp-12896

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-12896
  • 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: 12
  • Number of elements: 3
  • Element list: ['Nd', 'Al', 'Co']
  • Chemical System: Al-Co-Nd
  • Density: 4.836159382303338
  • Atomic Density: 0.05616953948465901
  • Unit Cell Volume: 213.6389244080848
  • Molar Volume: 10.721363955004053
  • Full Formula: Nd2 Al8 Co2
  • Reduced Formula: NdAl4Co
  • Formula Anonymous: ABC4
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -59.87330723000001
  • Final energy per atom: -4.989442269166667
  • 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.