YZr2Pt3
Alexandria ALEXAlex-ID: agm034800978 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
ZrPt YPt
2025-04-14 15:29:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034800978).
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
@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…
# CIF generated by HEAS from Alexandria entry agm034800978
data_agm034800978
_cell_length_a 5.52271
_cell_length_b 7.13508
_cell_length_c 13.55358
_cell_angle_alpha 105.17112
_cell_angle_beta 85.19399
_cell_angle_gamma 108.49452
_cell_volume 488.84337
_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 0.21038 0.22613 0.08612 1.00000
Y2 Y 0.78962 0.77387 0.91388 1.00000
Y3 Y 0.77929 0.61265 0.58285 1.00000
Y4 Y 0.22071 0.38735 0.41715 1.00000
Zr1 Zr 0.77310 0.45056 0.25609 1.00000
Zr2 Zr 0.21892 0.71621 0.08215 1.00000
Zr3 Zr 0.78108 0.28379 0.91785 1.00000
Zr4 Zr 0.22690 0.54944 0.74391 1.00000
Zr5 Zr 0.21597 0.06205 0.75636 1.00000
Zr6 Zr 0.79168 0.11259 0.58439 1.00000
Zr7 Zr 0.20832 0.88741 0.41561 1.00000
Zr8 Zr 0.78403 0.93795 0.24364 1.00000
Pt1 Pt 0.66794 0.09509 0.08650 1.00000
Pt2 Pt 0.68702 0.58024 0.08639 1.00000
Pt3 Pt 0.33206 0.90491 0.91350 1.00000
Pt4 Pt 0.31298 0.41976 0.91361 1.00000
Pt5 Pt 0.68944 0.94215 0.75072 1.00000
Pt6 Pt 0.69132 0.40347 0.74912 1.00000
Pt7 Pt 0.31555 0.22638 0.58767 1.00000
Pt8 Pt 0.32810 0.77363 0.58654 1.00000
Pt9 Pt 0.68445 0.77362 0.41233 1.00000
Pt10 Pt 0.67190 0.22637 0.41346 1.00000
Pt11 Pt 0.31056 0.05785 0.24928 1.00000
Pt12 Pt 0.30868 0.59653 0.25088 1.00000
