DyZrPt
Alexandria ALEXAlex-ID: agm005677242 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7266_spg189
Zr DyPt
2023-06-18 15:18:57.969849
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677242).
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 agm005677242
data_agm005677242
_cell_length_a 7.13273
_cell_length_b 8.53444
_cell_length_c 8.53443
_cell_angle_alpha 67.03544
_cell_angle_beta 65.29922
_cell_angle_gamma 65.29923
_cell_volume 413.92364
_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
Dy1 Dy 0.16563 0.04364 0.54364 1.00000
Dy2 Dy 0.75292 0.95636 0.45636 1.00000
Dy3 Dy 0.34067 0.74997 0.24997 1.00000
Dy4 Dy 0.34061 0.25003 0.75003 1.00000
Dy5 Dy 0.75280 0.45630 0.95630 1.00000
Dy6 Dy 0.16540 0.54370 0.04370 1.00000
Zr1 Zr 0.00807 0.00000 1.00000 1.00000
Zr2 Zr 0.00807 0.50000 0.50000 1.00000
Zr3 Zr 0.75364 0.37253 0.37259 1.00000
Zr4 Zr 0.49876 0.62747 0.62741 1.00000
Zr5 Zr 0.49876 0.12741 0.12747 1.00000
Zr6 Zr 0.75364 0.87259 0.87253 1.00000
Pt1 Pt 0.75286 0.24990 0.74990 1.00000
Pt2 Pt 0.75266 0.75010 0.25010 1.00000
Pt3 Pt 0.08719 0.16656 0.16661 1.00000
Pt4 Pt 0.42036 0.83344 0.83339 1.00000
Pt5 Pt 0.42036 0.33339 0.33344 1.00000
Pt6 Pt 0.08719 0.66661 0.66656 1.00000
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