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YMg(CoNi)2

Alexandria ALEX

Alex-ID: agm005437206 · Space group: Imm2 (#44)

Basic Information

Formula
YMg(CoNi)2
Alex-ID
agm005437206
Elements
4
Sites
6
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
86.51
ų
Cell a
4.9878
Å
Cell b
4.9878
Å
Cell c
4.9878
Å
α angle
122.04
°
β angle
119.70
°
γ angle
88.51
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YMg(CoNi)2
Y
1.00 · 16.7%
Mg
1.00 · 16.7%
Co
2.00 · 33.3%
Ni
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0189
eV/atom
Formation energy
-0.2400
eV/atom
Corrected total energy
-35.3130
eV
Raw total energy
-35.3130
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0199
eV
DOS at Fermi level
6.9775
Total magnetisation
2.7622
μB

Additional Information

Prototype ID

ABC2D2_142_spg44

Decomposition

YMgCo4 YMgNi4

Computed at

2023-03-21 11:58:24.489651

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005437206).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm005437206
data_agm005437206
_cell_length_a     4.98779
_cell_length_b     4.98779
_cell_length_c     4.98779
_cell_angle_alpha  122.04028
_cell_angle_beta   119.69667
_cell_angle_gamma  88.51453
_cell_volume       86.51244
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Y1 Y 0.00102 0.00102 0.00000 1.00000
  Mg1 Mg 0.74549 0.24549 0.50000 1.00000
  Co1 Co 0.37631 0.62689 0.25058 1.00000
  Co2 Co 0.37631 0.12574 0.74942 1.00000
  Ni1 Ni 0.87135 0.62543 0.24591 1.00000
  Ni2 Ni 0.37952 0.62543 0.75409 1.00000
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