Pm5SmRh6
Alexandria ALEXAlex-ID: agm006114905 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_47_spg65
PmSmRh2 PmRh
2023-09-18 07:05:13.250978
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114905).
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}
}
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# CIF generated by HEAS from Alexandria entry agm006114905
data_agm006114905
_cell_length_a 5.00392
_cell_length_b 6.93349
_cell_length_c 7.91611
_cell_angle_alpha 89.99990
_cell_angle_beta 71.45156
_cell_angle_gamma 89.99977
_cell_volume 260.37987
_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
Rh1 Rh 0.83373 0.75044 0.33242 1.00000
Rh2 Rh 0.83370 0.24956 0.33242 1.00000
Rh3 Rh 0.50002 0.24868 0.00000 1.00000
Rh4 Rh 0.49998 0.75132 1.00000 1.00000
Rh5 Rh 0.16630 0.75044 0.66758 1.00000
Rh6 Rh 0.16627 0.24956 0.66758 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.66667 0.50000 0.66673 1.00000
Pm2 Pm 0.33343 1.00000 0.33305 1.00000
Pm3 Pm 0.00000 0.50000 0.00000 1.00000
Pm4 Pm 0.66657 0.00000 0.66695 1.00000
Pm5 Pm 0.33333 0.50000 0.33327 1.00000
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