CaSm(YPd2)2
Alexandria ALEXAlex-ID: agm020048232 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_364_spg8
CaYPd2 SmPd YPd
2025-02-22 22:54:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020048232).
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 agm020048232
data_agm020048232
_cell_length_a 7.28563
_cell_length_b 7.26020
_cell_length_c 7.68376
_cell_angle_alpha 74.62723
_cell_angle_beta 74.66880
_cell_angle_gamma 76.25278
_cell_volume 371.76024
_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
Ca1 Ca 0.58318 0.22826 0.89881 1.00000
Ca2 Ca 0.55001 0.70783 0.03573 1.00000
Sm1 Sm 0.07487 0.73358 0.89749 1.00000
Sm2 Sm 0.55439 0.70114 0.53602 1.00000
Y1 Y 0.57860 0.23337 0.39567 1.00000
Y2 Y 0.05785 0.20479 0.03674 1.00000
Y3 Y 0.08075 0.72960 0.39832 1.00000
Y4 Y 0.05022 0.20728 0.53422 1.00000
Pd1 Pd 0.85515 0.50401 0.26147 1.00000
Pd2 Pd 0.78273 0.92860 0.18651 1.00000
Pd3 Pd 0.27686 0.42848 0.66877 1.00000
Pd4 Pd 0.35113 0.01200 0.74809 1.00000
Pd5 Pd 0.77746 0.92922 0.65903 1.00000
Pd6 Pd 0.35374 0.00924 0.27095 1.00000
Pd7 Pd 0.86572 0.50892 0.75585 1.00000
Pd8 Pd 0.26750 0.42560 0.18172 1.00000
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