La2Pm2Y5
Alexandria ALEXAlex-ID: agm010040271 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_1172_spg12
LaPm PmY2 LaY2
2024-05-17 07:16:09.440915
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010040271).
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 agm010040271
data_agm010040271
_cell_length_a 8.09831
_cell_length_b 8.09831
_cell_length_c 10.88394
_cell_angle_alpha 77.48263
_cell_angle_beta 77.48263
_cell_angle_gamma 25.86025
_cell_volume 303.54652
_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 0.66620 0.66620 0.61204 1.00000
La2 La 0.33380 0.33380 0.38796 1.00000
Pm1 Pm 0.99866 0.99866 0.83506 1.00000
Pm2 Pm 0.00134 0.00134 0.16494 1.00000
Y1 Y 0.33432 0.33432 0.72438 1.00000
Y2 Y 0.66568 0.66568 0.27562 1.00000
Y3 Y 0.66697 0.66697 0.94607 1.00000
Y4 Y 0.33303 0.33303 0.05393 1.00000
Y5 Y 0.00000 0.00000 0.50000 1.00000
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