LiLaDyS3
Alexandria ALEXAlex-ID: agm005035196 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_375_spg11
LiDyS2 LaS
2022-07-06 01:34:52.373805
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005035196).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005035196
data_agm005035196
_cell_length_a 3.90846
_cell_length_b 8.18130
_cell_length_c 8.54623
_cell_angle_alpha 103.20996
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 266.04576
_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
Li1 Li 0.25000 0.08808 0.58533 1.00000
Li2 Li 0.75000 0.91192 0.41467 1.00000
La1 La 0.25000 0.18699 0.22330 1.00000
La2 La 0.75000 0.81301 0.77670 1.00000
Dy1 Dy 0.25000 0.66437 0.16283 1.00000
Dy2 Dy 0.75000 0.33563 0.83717 1.00000
S1 S 0.75000 0.89881 0.13510 1.00000
S2 S 0.25000 0.10119 0.86490 1.00000
S3 S 0.25000 0.78741 0.49669 1.00000
S4 S 0.75000 0.21259 0.50331 1.00000
S5 S 0.75000 0.43293 0.17083 1.00000
S6 S 0.25000 0.56707 0.82917 1.00000
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