Ce2Sm3Pd8
Alexandria ALEXAlex-ID: agm010230368 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_882_spg2
Ce4SmPd15 SmPd CePd
2024-03-07 14:15:08.069555
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010230368).
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 agm010230368
data_agm010230368
_cell_length_a 5.50674
_cell_length_b 7.20835
_cell_length_c 8.23603
_cell_angle_alpha 111.76573
_cell_angle_beta 107.59634
_cell_angle_gamma 92.98939
_cell_volume 284.38644
_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
Ce1 Ce 0.18511 0.63922 0.37958 1.00000
Ce2 Ce 0.81489 0.36078 0.62042 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Sm2 Sm 0.85063 0.05604 0.17569 1.00000
Sm3 Sm 0.14937 0.94396 0.82431 1.00000
Pd1 Pd 0.44576 0.95190 0.30702 1.00000
Pd2 Pd 0.55424 0.04810 0.69298 1.00000
Pd3 Pd 0.74078 0.70541 0.44488 1.00000
Pd4 Pd 0.25922 0.29459 0.55512 1.00000
Pd5 Pd 0.02893 0.69204 0.00713 1.00000
Pd6 Pd 0.56271 0.69997 0.75248 1.00000
Pd7 Pd 0.43729 0.30003 0.24752 1.00000
Pd8 Pd 0.97107 0.30796 0.99287 1.00000
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