La(US3)2
Alexandria ALEXAlex-ID: agm097199740 · 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
AB2C6_3839_spg1
US2 La2US5 US3
2025-04-07 08:24:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097199740).
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 agm097199740
data_agm097199740
_cell_length_a 5.34371
_cell_length_b 5.22215
_cell_length_c 10.10675
_cell_angle_alpha 104.79442
_cell_angle_beta 90.55510
_cell_angle_gamma 90.06614
_cell_volume 272.67099
_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
La1 La 0.28987 0.39543 0.25766 1.00000
U1 U 0.78213 0.21439 0.90411 1.00000
U2 U 0.27508 0.06439 0.59969 1.00000
S1 S 0.78302 0.71606 0.90753 1.00000
S2 S 0.30379 0.54291 0.55625 1.00000
S3 S 0.78541 0.34555 0.16914 1.00000
S4 S 0.28169 0.20595 0.88551 1.00000
S5 S 0.22130 0.93432 0.33674 1.00000
S6 S 0.77771 0.08099 0.63337 1.00000
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