Y6Cd3IrPd2
Alexandria ALEXAlex-ID: agm036927872 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_175_spg12
Y11Cd9Pd4 Y5Ir3 YPd
2025-03-13 03:10:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036927872).
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}
}
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# CIF generated by HEAS from Alexandria entry agm036927872
data_agm036927872
_cell_length_a 7.95425
_cell_length_b 7.95425
_cell_length_c 9.05544
_cell_angle_alpha 58.22549
_cell_angle_beta 121.77451
_cell_angle_gamma 143.15493
_cell_volume 285.78918
_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 0.91223 0.08777 0.72389 1.00000
Y2 Y 0.76240 0.23760 0.27486 1.00000
Y3 Y 0.08777 0.91223 0.27611 1.00000
Y4 Y 0.57311 0.42689 0.72022 1.00000
Y5 Y 0.23760 0.76240 0.72514 1.00000
Y6 Y 0.42689 0.57311 0.27978 1.00000
Cd1 Cd 0.16790 0.83210 0.00494 1.00000
Cd2 Cd 0.83210 0.16790 0.99506 1.00000
Cd3 Cd 0.50000 0.50000 0.00000 1.00000
Ir1 Ir 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.32793 0.67207 0.50026 1.00000
Pd2 Pd 0.67207 0.32793 0.49974 1.00000
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