Cs2U(PdSe2)2
Alexandria ALEXAlex-ID: agm004559611 · 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
AB2C2D4_201_spg12
Cs3USe4 Cs2Pd3Se4 CsUPdSe3 UPd8
2022-06-19 20:44:51.948660
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004559611).
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 agm004559611
data_agm004559611
_cell_length_a 4.17584
_cell_length_b 8.53212
_cell_length_c 7.84504
_cell_angle_alpha 106.89299
_cell_angle_beta 105.43503
_cell_angle_gamma 90.00000
_cell_volume 256.89436
_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
Cs1 Cs 0.13822 0.57382 0.27645 1.00000
Cs2 Cs 0.86178 0.42618 0.72355 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.67983 0.99103 0.35966 1.00000
Pd2 Pd 0.32017 0.00897 0.64034 1.00000
Se1 Se 0.18802 0.16419 0.37605 1.00000
Se2 Se 0.81198 0.83581 0.62395 1.00000
Se3 Se 0.51340 0.78138 0.02680 1.00000
Se4 Se 0.48660 0.21862 0.97320 1.00000
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