UTcSnRu
Alexandria ALEXAlex-ID: agm005182109 · 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
ABCD_1528_spg160
U2SnRu2 UTc2Sn U2SnRu5 Sn7Ru3
2022-07-10 19:17:14.242442
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005182109).
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 agm005182109
data_agm005182109
_cell_length_a 4.76871
_cell_length_b 4.33587
_cell_length_c 5.10220
_cell_angle_alpha 121.34936
_cell_angle_beta 117.86043
_cell_angle_gamma 90.00000
_cell_volume 75.40879
_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 0.25153 0.75923 0.50306 1.00000
Tc1 Tc 0.48706 0.42467 0.97411 1.00000
Sn1 Sn 0.74977 0.25170 0.49953 1.00000
Ru1 Ru 0.01165 0.06439 0.02329 1.00000
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