K(La2Pd)4
Alexandria ALEXAlex-ID: agm098105695 · 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
AB4C8_1386_spg8
La7Pd3 LaPd K
2025-06-16 09:55:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098105695).
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 agm098105695
data_agm098105695
_cell_length_a 4.01060
_cell_length_b 12.95992
_cell_length_c 10.60292
_cell_angle_alpha 50.00287
_cell_angle_beta 88.13863
_cell_angle_gamma 89.20672
_cell_volume 421.95059
_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
K1 K 0.50106 0.23084 0.76906 1.00000
La1 La 0.25054 0.12272 0.24771 1.00000
La2 La 0.23894 0.56853 0.35227 1.00000
La3 La 0.24778 0.74026 0.59406 1.00000
La4 La 0.21541 0.04711 0.63955 1.00000
La5 La 0.76050 0.89298 0.18626 1.00000
La6 La 0.74948 0.33877 0.29073 1.00000
La7 La 0.78476 0.41445 0.89888 1.00000
La8 La 0.75196 0.72127 0.94451 1.00000
Pd1 Pd 0.26297 0.85595 0.01280 1.00000
Pd2 Pd 0.26516 0.51463 0.00002 1.00000
Pd3 Pd 0.73655 0.60564 0.52563 1.00000
Pd4 Pd 0.73488 0.94684 0.53853 1.00000
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