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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222950

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-1222950
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['La', 'Fe', 'Cu', 'Ni']
  • Chemical System: Cu-Fe-La-Ni
  • Density: 8.183006092151462
  • Atomic Density: 0.06806886918291927
  • Unit Cell Volume: 88.14602140482744
  • Molar Volume: 8.847129138897397
  • Full Formula: La1 Fe1 Cu1 Ni3
  • Reduced Formula: LaFeCuNi3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -35.94332667
  • Final energy per atom: -5.990554445
  • 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.