CdH4OsPd
Alexandria ALEXAlex-ID: agm007656833 · 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
ABCD4_741_spg12
Cd(HPd)2 CdH8Os Os CdPd
2024-03-05 11:56:12.242770
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007656833).
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 agm007656833
data_agm007656833
_cell_length_a 4.66317
_cell_length_b 4.85243
_cell_length_c 7.63908
_cell_angle_alpha 81.76808
_cell_angle_beta 72.04996
_cell_angle_gamma 61.89160
_cell_volume 145.04632
_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
Cd1 Cd 0.43679 0.44251 0.68576 1.00000
Cd2 Cd 0.56321 0.55749 0.31424 1.00000
H1 H 0.99009 0.77546 0.24611 1.00000
H2 H 0.00991 0.22454 0.75389 1.00000
H3 H 0.10814 0.20745 0.05184 1.00000
H4 H 0.72020 0.80487 0.74888 1.00000
H5 H 0.37306 0.79259 0.95357 1.00000
H6 H 0.62694 0.20741 0.04643 1.00000
H7 H 0.27980 0.19513 0.25112 1.00000
H8 H 0.89186 0.79255 0.94816 1.00000
Os1 Os 0.22081 0.47139 0.08484 1.00000
Os2 Os 0.77919 0.52861 0.91516 1.00000
Pd1 Pd 0.15734 0.18399 0.50381 1.00000
Pd2 Pd 0.84266 0.81601 0.49619 1.00000
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