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YMg(AlPt2)2

Alexandria ALEX

Alex-ID: agm004789628 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
YMg(AlPt2)2
Alex-ID
agm004789628
Elements
4
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
138.04
ų
Cell a
4.3261
Å
Cell b
4.3261
Å
Cell c
8.8755
Å
α angle
75.89
°
β angle
75.89
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YMg(AlPt2)2
Y
1.00 · 12.5%
Mg
1.00 · 12.5%
Al
2.00 · 25.0%
Pt
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0762
eV/atom
Formation energy
-1.0034
eV/atom
Corrected total energy
-47.9280
eV
Raw total energy
-47.9280
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.5985
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_78_spg166

Decomposition

Mg5AlPt6 YAl2Pt3 YPt

Computed at

2022-07-17 02:47:34.906798

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: agm004789628).

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 agm004789628
data_agm004789628
_cell_length_a     4.32611
_cell_length_b     4.32611
_cell_length_c     8.87553
_cell_angle_alpha  75.89440
_cell_angle_beta   75.89440
_cell_angle_gamma  60.00000
_cell_volume       138.03967
_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 0.00000 0.00000 0.00000 1.00000
  Mg1 Mg 0.50000 0.50000 0.50000 1.00000
  Al1 Al 0.75912 0.75912 0.72264 1.00000
  Al2 Al 0.24088 0.24088 0.27736 1.00000
  Pt1 Pt 0.39939 0.39939 0.80183 1.00000
  Pt2 Pt 0.86944 0.86944 0.39169 1.00000
  Pt3 Pt 0.13056 0.13056 0.60831 1.00000
  Pt4 Pt 0.60061 0.60061 0.19817 1.00000
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