Pr3(NdOs)2
Alexandria ALEXAlex-ID: agm005556232 · 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
A2B2C3_252_spg12
Pr5Os2 Nd5Os2
2023-06-12 05:30:24.160836
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005556232).
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 agm005556232
data_agm005556232
_cell_length_a 4.05797
_cell_length_b 6.56266
_cell_length_c 8.79582
_cell_angle_alpha 103.81339
_cell_angle_beta 103.29635
_cell_angle_gamma 108.04284
_cell_volume 204.22809
_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
Pr1 Pr 0.50000 0.00000 0.00000 1.00000
Pr2 Pr 0.19699 0.82033 0.57424 1.00000
Pr3 Pr 0.80301 0.17967 0.42576 1.00000
Nd1 Nd 0.64462 0.47687 0.81244 1.00000
Nd2 Nd 0.35538 0.52313 0.18756 1.00000
Os1 Os 0.03991 0.85862 0.22052 1.00000
Os2 Os 0.96009 0.14138 0.77948 1.00000
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