U4RhS8
Alexandria ALEXAlex-ID: agm097948976 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_204_spg12
U2S3 U6Rh2S15 URh3
2025-06-19 17:48:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097948976).
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 agm097948976
data_agm097948976
_cell_length_a 5.37755
_cell_length_b 8.30498
_cell_length_c 8.27705
_cell_angle_alpha 119.88810
_cell_angle_beta 90.00524
_cell_angle_gamma 66.67289
_cell_volume 285.12142
_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 0.88913 0.03730 0.03636 1.00000
U2 U 0.88917 0.03730 0.53939 1.00000
U3 U 0.13090 0.45297 0.99571 1.00000
U4 U 0.12369 0.46075 0.49961 1.00000
Rh1 Rh 0.39125 0.03895 0.78872 1.00000
S1 S 0.70745 0.32642 0.43242 1.00000
S2 S 0.70462 0.33405 0.93625 1.00000
S3 S 0.82103 0.68344 0.36083 1.00000
S4 S 0.82100 0.68345 0.86104 1.00000
S5 S 0.31991 0.16451 0.12008 1.00000
S6 S 0.31995 0.16450 0.58291 1.00000
S7 S 0.19203 0.80968 0.17408 1.00000
S8 S 0.18985 0.80668 0.67260 1.00000
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