CaY2CdPd4
Alexandria ALEXAlex-ID: agm004792166 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_337_spg166
Y3Pd4 Y3Pd5 CaCdPd
2023-01-21 19:08:36.713575
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004792166).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm004792166
data_agm004792166
_cell_length_a 4.88358
_cell_length_b 4.88358
_cell_length_c 8.49658
_cell_angle_alpha 73.29852
_cell_angle_beta 73.29852
_cell_angle_gamma 60.00000
_cell_volume 165.54549
_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 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.75500 0.75500 0.73501 1.00000
Y2 Y 0.24500 0.24500 0.26499 1.00000
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.37679 0.37679 0.86962 1.00000
Pd2 Pd 0.87548 0.87548 0.37356 1.00000
Pd3 Pd 0.12452 0.12452 0.62644 1.00000
Pd4 Pd 0.62321 0.62321 0.13038 1.00000
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