Ho2Cd3Pd7
Alexandria ALEXAlex-ID: agm005604275 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_107_spg65
Ho2CdPd5 CdPd
2023-06-13 13:54:10.188823
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604275).
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 agm005604275
data_agm005604275
_cell_length_a 4.53396
_cell_length_b 4.69454
_cell_length_c 11.50065
_cell_angle_alpha 101.85136
_cell_angle_beta 90.13993
_cell_angle_gamma 90.08313
_cell_volume 239.57056
_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
Ho1 Ho 0.50169 0.64989 0.30050 1.00000
Ho2 Ho 0.49831 0.35011 0.69950 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
Cd2 Cd 0.00193 0.14678 0.29448 1.00000
Cd3 Cd 0.99807 0.85322 0.70552 1.00000
Pd1 Pd 0.50298 0.21836 0.43650 1.00000
Pd2 Pd 0.49702 0.78164 0.56350 1.00000
Pd3 Pd 0.00079 0.57289 0.14550 1.00000
Pd4 Pd 0.00000 0.00000 0.00000 1.00000
Pd5 Pd 0.99921 0.42711 0.85450 1.00000
Pd6 Pd 0.49909 0.92648 0.85408 1.00000
Pd7 Pd 0.50091 0.07352 0.14592 1.00000
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