CeSmY3
Alexandria ALEXAlex-ID: agm005804277 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_7498_spg12
Sm2Y7 SmY2 Ce
2023-07-06 06:19:03.727432
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804277).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005804277
data_agm005804277
_cell_length_a 6.15141
_cell_length_b 6.76291
_cell_length_c 9.38781
_cell_angle_alpha 81.43520
_cell_angle_beta 70.88501
_cell_angle_gamma 62.94858
_cell_volume 328.64230
_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
Ce1 Ce 0.11238 0.77524 0.00000 1.00000
Ce2 Ce 0.88762 0.22476 0.00000 1.00000
Sm1 Sm 0.24861 0.50279 0.50000 1.00000
Sm2 Sm 0.75139 0.49721 0.50000 1.00000
Y1 Y 0.80958 0.00000 0.37700 1.00000
Y2 Y 0.19042 0.00000 0.62300 1.00000
Y3 Y 0.26242 0.27791 0.19793 1.00000
Y4 Y 0.45966 0.27791 0.80207 1.00000
Y5 Y 0.73758 0.72209 0.80207 1.00000
Y6 Y 0.54034 0.72209 0.19793 1.00000
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