Nd8CuOs3Br4
Alexandria ALEXAlex-ID: agm004714865 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_64_spg12
Nd3OsBr3 NdCu Nd5Os2 Nd2Os2Br
2023-02-03 13:22:49.526292
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004714865).
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 agm004714865
data_agm004714865
_cell_length_a 8.27147
_cell_length_b 9.20005
_cell_length_c 8.27170
_cell_angle_alpha 116.74752
_cell_angle_beta 119.99910
_cell_angle_gamma 90.00000
_cell_volume 465.73997
_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 0.23863 0.69661 0.95830 1.00000
Nd2 Nd 0.23866 0.69683 0.47733 1.00000
Nd3 Nd 0.26642 0.29960 0.53283 1.00000
Nd4 Nd 0.71966 0.69661 0.95830 1.00000
Nd5 Nd 0.28034 0.30339 0.04170 1.00000
Nd6 Nd 0.73358 0.70040 0.46717 1.00000
Nd7 Nd 0.76134 0.30317 0.52267 1.00000
Nd8 Nd 0.76137 0.30339 0.04170 1.00000
Cu1 Cu 0.00000 0.50000 0.00000 1.00000
Os1 Os 0.50000 0.50000 0.00000 1.00000
Os2 Os 0.50000 0.50000 0.50000 1.00000
Os3 Os 0.00000 0.50000 0.50000 1.00000
Br1 Br 0.50000 0.00000 0.00000 1.00000
Br2 Br 0.50000 0.00000 0.50000 1.00000
Br3 Br 0.00000 0.00000 0.00000 1.00000
Br4 Br 0.00000 0.00000 0.50000 1.00000
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