NdBiPd5
Alexandria ALEXAlex-ID: agm005777567 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_91_spg62
Bi2Pd5 Nd8BiPd24 BiPd
2023-07-14 21:56:04.473377
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777567).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005777567
data_agm005777567
_cell_length_a 5.54595
_cell_length_b 8.86415
_cell_length_c 11.04006
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 542.73120
_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
Nd1 Nd 0.25000 0.25550 0.94965 1.00000
Nd2 Nd 0.75000 0.24450 0.44965 1.00000
Nd3 Nd 0.25000 0.75550 0.55035 1.00000
Nd4 Nd 0.75000 0.74450 0.05035 1.00000
Bi1 Bi 0.25000 0.84743 0.84963 1.00000
Bi2 Bi 0.75000 0.65257 0.34963 1.00000
Bi3 Bi 0.25000 0.34743 0.65037 1.00000
Bi4 Bi 0.75000 0.15257 0.15037 1.00000
Pd1 Pd 0.25000 0.59554 0.02237 1.00000
Pd2 Pd 0.75000 0.90446 0.52237 1.00000
Pd3 Pd 0.25000 0.09554 0.47763 1.00000
Pd4 Pd 0.75000 0.40446 0.97763 1.00000
Pd5 Pd 0.75000 0.31782 0.73346 1.00000
Pd6 Pd 0.25000 0.18218 0.23346 1.00000
Pd7 Pd 0.75000 0.81782 0.76654 1.00000
Pd8 Pd 0.25000 0.68218 0.26654 1.00000
Pd9 Pd 0.25000 0.92705 0.08415 1.00000
Pd10 Pd 0.75000 0.57295 0.58415 1.00000
Pd11 Pd 0.25000 0.42705 0.41585 1.00000
Pd12 Pd 0.75000 0.07295 0.91585 1.00000
Pd13 Pd 0.99535 0.43597 0.19557 1.00000
Pd14 Pd 0.00465 0.06403 0.69557 1.00000
Pd15 Pd 0.50465 0.93597 0.30443 1.00000
Pd16 Pd 0.49535 0.56403 0.80443 1.00000
Pd17 Pd 0.00465 0.56403 0.80443 1.00000
Pd18 Pd 0.99535 0.93597 0.30443 1.00000
Pd19 Pd 0.49535 0.06403 0.69557 1.00000
Pd20 Pd 0.50465 0.43597 0.19557 1.00000
