Pu6OsRh2
Alexandria ALEXAlex-ID: agm005807367 · 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
AB2C6_798_spg71
PuOs2 Pu PuRh
2023-07-09 09:12:41.483581
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807367).
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 agm005807367
data_agm005807367
_cell_length_a 7.95222
_cell_length_b 7.95221
_cell_length_c 7.95222
_cell_angle_alpha 101.69101
_cell_angle_beta 108.67462
_cell_angle_gamma 118.50094
_cell_volume 378.59933
_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
Pu1 Pu 0.50928 0.70894 0.80034 1.00000
Pu2 Pu 0.49072 0.29106 0.19966 1.00000
Pu3 Pu 0.09140 0.29106 0.80034 1.00000
Pu4 Pu 0.90860 0.70894 0.19966 1.00000
Pu5 Pu 0.80598 0.76402 0.57000 1.00000
Pu6 Pu 0.19402 0.23598 0.43000 1.00000
Pu7 Pu 0.19402 0.76402 0.95804 1.00000
Pu8 Pu 0.80598 0.23598 0.04196 1.00000
Pu9 Pu 0.76781 0.46574 0.69793 1.00000
Pu10 Pu 0.23219 0.53426 0.30207 1.00000
Pu11 Pu 0.23219 0.93012 0.69793 1.00000
Pu12 Pu 0.76781 0.06988 0.30207 1.00000
Os1 Os 0.00000 0.50000 0.50000 1.00000
Os2 Os 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.50000 0.35062 0.85062 1.00000
Rh2 Rh 0.50000 0.64938 0.14938 1.00000
Rh3 Rh 0.64439 1.00000 0.64439 1.00000
Rh4 Rh 0.35561 0.00000 0.35561 1.00000
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