Re2Rh13
Alexandria ALEXAlex-ID: agm007777958 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B13_5_spg2
ReRh8 ReRh2
2024-05-15 12:33:18.245077
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007777958).
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 agm007777958
data_agm007777958
_cell_length_a 4.71398
_cell_length_b 6.65889
_cell_length_c 7.19352
_cell_angle_alpha 107.79141
_cell_angle_beta 96.32718
_cell_angle_gamma 89.98552
_cell_volume 213.56189
_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
Re1 Re 0.93327 0.86569 0.59664 1.00000
Re2 Re 0.06673 0.13431 0.40336 1.00000
Rh1 Rh 0.86690 0.73734 0.20360 1.00000
Rh2 Rh 0.13310 0.26266 0.79640 1.00000
Rh3 Rh 0.00000 0.00000 0.00000 1.00000
Rh4 Rh 0.39558 0.80523 0.40291 1.00000
Rh5 Rh 0.60442 0.19477 0.59709 1.00000
Rh6 Rh 0.26193 0.53459 0.60137 1.00000
Rh7 Rh 0.73807 0.46541 0.39863 1.00000
Rh8 Rh 0.20135 0.39770 0.20205 1.00000
Rh9 Rh 0.79865 0.60230 0.79795 1.00000
Rh10 Rh 0.46728 0.93430 0.79881 1.00000
Rh11 Rh 0.53272 0.06570 0.20119 1.00000
Rh12 Rh 0.66540 0.33339 0.00068 1.00000
Rh13 Rh 0.33460 0.66661 0.99932 1.00000
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