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  1. Third-Parties
  2. MatprojStructure
  3. mp-4448

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-4448
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Y', 'Al', 'C']
  • Chemical System: Al-C-Y
  • Density: 4.327411797665297
  • Atomic Density: 0.04262258513274006
  • Unit Cell Volume: 117.308698766826
  • Molar Volume: 14.128989926925291
  • Full Formula: Y3 Al1 C1
  • Reduced Formula: Y3AlC
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -34.46394036
  • Final energy per atom: -6.892788072
  • 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.