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Y8MgPt4

Alexandria ALEX

Alex-ID: agm097477455 · Space group: Pm (#6)

Basic Information

Formula
Y8MgPt4
Alex-ID
agm097477455
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
337.81
ų
Cell a
4.0898
Å
Cell b
9.0128
Å
Cell c
10.7765
Å
α angle
121.74
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y8MgPt4
Y
8.00 · 61.5%
Mg
1.00 · 7.7%
Pt
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0816
eV/atom
Formation energy
-0.7840
eV/atom
Corrected total energy
-87.8427
eV
Raw total energy
-87.8427
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0323
eV
DOS at Fermi level
12.9803
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1736_spg8

Decomposition

Y4MgPt Y2Pt YMgPt

Computed at

2025-06-16 19:02:02

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: agm097477455).

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 agm097477455
data_agm097477455
_cell_length_a     4.08976
_cell_length_b     9.01285
_cell_length_c     10.77646
_cell_angle_alpha  121.74124
_cell_angle_beta   90.00434
_cell_angle_gamma  90.00418
_cell_volume       337.81225
_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 0.26901 0.22098 0.47592 1.00000
  Y2 Y 0.26916 0.03386 0.76672 1.00000
  Y3 Y 0.26913 0.78092 0.37200 1.00000
  Y4 Y 0.26921 0.68897 0.82440 1.00000
  Y5 Y 0.76933 0.38790 0.13057 1.00000
  Y6 Y 0.76910 0.36901 0.79786 1.00000
  Y7 Y 0.76932 0.82990 0.13578 1.00000
  Y8 Y 0.76913 0.62611 0.54677 1.00000
  Mg1 Mg 0.26988 0.10105 0.12061 1.00000
  Pt1 Pt 0.76933 0.95030 0.92017 1.00000
  Pt2 Pt 0.76909 0.02476 0.54241 1.00000
  Pt3 Pt 0.26915 0.55016 0.02327 1.00000
  Pt4 Pt 0.26917 0.43608 0.34350 1.00000
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