U8IrRu2Rh
Alexandria ALEXAlex-ID: agm013483735 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_554_spg2
U4Ru U2Ru U2IrRh
2024-09-13 12:59:59.380319
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013483735).
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 agm013483735
data_agm013483735
_cell_length_a 2.79867
_cell_length_b 8.76573
_cell_length_c 8.94426
_cell_angle_alpha 90.03109
_cell_angle_beta 90.02655
_cell_angle_gamma 95.97655
_cell_volume 218.23170
_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
U1 U 0.47436 0.33137 0.24894 1.00000
U2 U 0.61612 0.83284 0.00019 1.00000
U3 U 0.52585 0.66871 0.24920 1.00000
U4 U 0.52564 0.66863 0.75106 1.00000
U5 U 0.38388 0.16716 0.99981 1.00000
U6 U 0.47415 0.33129 0.75080 1.00000
U7 U 0.61717 0.83232 0.50016 1.00000
U8 U 0.38283 0.16768 0.49984 1.00000
Ir1 Ir 0.00000 0.50000 0.50000 1.00000
Ru1 Ru 0.00002 0.99997 0.74874 1.00000
Ru2 Ru 0.99998 0.00003 0.25126 1.00000
Rh1 Rh 0.00000 0.50000 0.00000 1.00000
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