Ca2La(YU)2
Alexandria ALEXAlex-ID: agm011532736 · 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
AB2C2D2_491_spg2
Ca LaY2 U
2024-05-28 11:56:39.406268
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011532736).
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 agm011532736
data_agm011532736
_cell_length_a 7.71475
_cell_length_b 7.71475
_cell_length_c 9.27430
_cell_angle_alpha 68.92706
_cell_angle_beta 68.92706
_cell_angle_gamma 26.94365
_cell_volume 232.38775
_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
Ca1 Ca 0.36110 0.36110 0.87665 1.00000
Ca2 Ca 0.63890 0.63890 0.12335 1.00000
La1 La 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.90661 0.90661 0.19663 1.00000
Y2 Y 0.09339 0.09339 0.80337 1.00000
U1 U 0.28423 0.28423 0.55586 1.00000
U2 U 0.71577 0.71577 0.44414 1.00000
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