Nd8Ga2Pd
Alexandria ALEXAlex-ID: agm005936655 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_280_spg71
Nd5Ga3 Nd7Pd3 Nd
2023-10-18 08:53:21.979236
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005936655).
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 agm005936655
data_agm005936655
_cell_length_a 4.97149
_cell_length_b 8.89875
_cell_length_c 8.83937
_cell_angle_alpha 120.22380
_cell_angle_beta 106.33264
_cell_angle_gamma 89.99998
_cell_volume 319.50131
_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 0.66100 0.87780 0.32199 1.00000
Nd2 Nd 0.33899 0.55581 0.67798 1.00000
Nd3 Nd 0.12817 0.12815 0.25634 1.00000
Nd4 Nd 0.00001 0.32887 0.00003 1.00000
Nd5 Nd 0.87183 0.87185 0.74366 1.00000
Nd6 Nd 0.66101 0.44419 0.32202 1.00000
Nd7 Nd 0.33900 0.12220 0.67801 1.00000
Nd8 Nd 0.99999 0.67113 0.99997 1.00000
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
Ga1 Ga 0.19835 0.69838 0.39671 1.00000
Ga2 Ga 0.80165 0.30162 0.60329 1.00000
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