YPRh3
Alexandria ALEXAlex-ID: agm005807102 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4_spg107
Y6P13Rh20 Y2PRh6 Y10P19Rh28
2023-07-08 02:28:54.229975
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807102).
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 agm005807102
data_agm005807102
_cell_length_a 4.00534
_cell_length_b 4.00537
_cell_length_c 5.93330
_cell_angle_alpha 70.27121
_cell_angle_beta 70.27456
_cell_angle_gamma 90.00552
_cell_volume 83.64073
_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
Y1 Y 0.39309 0.19655 0.91899 1.00000
P1 P 0.02585 0.82930 0.65361 1.00000
Rh1 Rh 0.63708 0.94049 0.43127 1.00000
Rh2 Rh 0.13700 0.44059 0.43127 1.00000
Rh3 Rh 0.81474 0.61825 0.07600 1.00000
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