Y4CdPd
Alexandria ALEXAlex-ID: agm003744444 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1160_spg15
Y4CdPd
2022-04-19 09:49:31.542272
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003744444).
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 agm003744444
data_agm003744444
_cell_length_a 6.20925
_cell_length_b 9.23380
_cell_length_c 7.76416
_cell_angle_alpha 115.88212
_cell_angle_beta 99.48119
_cell_angle_gamma 113.29312
_cell_volume 335.81514
_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 0.10142 0.20466 0.82658 1.00000
Y2 Y 0.76453 0.71869 0.64915 1.00000
Y3 Y 0.22516 0.62192 0.82658 1.00000
Y4 Y 0.38462 0.93047 0.64915 1.00000
Y5 Y 0.61538 0.06953 0.35085 1.00000
Y6 Y 0.77484 0.37808 0.17342 1.00000
Y7 Y 0.23547 0.28131 0.35085 1.00000
Y8 Y 0.89858 0.79534 0.17342 1.00000
Cd1 Cd 0.37160 0.62160 0.24320 1.00000
Cd2 Cd 0.62840 0.37840 0.75680 1.00000
Pd1 Pd 0.25016 0.00016 0.00032 1.00000
Pd2 Pd 0.74984 0.99984 0.99968 1.00000
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