La2Y12Tm
Alexandria ALEXAlex-ID: agm005771384 · 空间群: Pmmm (#47)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C12_76_spg47
Y15Tm Y5Tm LaY2
2023-07-18 07:53:33.361883
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771384).
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 agm005771384
data_agm005771384
_cell_length_a 6.74022
_cell_length_b 6.74022
_cell_length_c 24.95273
_cell_angle_alpha 90.00029
_cell_angle_beta 90.00029
_cell_angle_gamma 116.21455
_cell_volume 1017.01974
_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 0.50000 0.00000 0.26715 1.00000
La2 La 0.00000 0.50000 0.26732 1.00000
La3 La 1.00000 0.50000 0.73285 1.00000
La4 La 0.50000 1.00000 0.73268 1.00000
Y1 Y 0.50000 0.50000 0.80319 1.00000
Y2 Y 1.00000 1.00000 0.80319 1.00000
Y3 Y 0.75000 0.75000 0.92465 1.00000
Y4 Y 0.25001 0.75001 0.87603 1.00000
Y5 Y 1.00000 1.00000 0.32716 1.00000
Y6 Y 0.24999 0.74999 0.12397 1.00000
Y7 Y 0.75039 0.25039 0.58456 1.00000
Y8 Y 0.50000 0.50000 0.32716 1.00000
Y9 Y 0.25000 0.25000 0.92465 1.00000
Y10 Y 0.75000 0.75000 0.07535 1.00000
Y11 Y 0.25048 0.24951 0.56172 1.00000
Y12 Y 0.74961 0.24961 0.41544 1.00000
Y13 Y 0.00000 0.00000 0.67284 1.00000
Y14 Y 0.24952 0.25049 0.43828 1.00000
Y15 Y 0.25000 0.25000 0.07535 1.00000
Y16 Y 0.75049 0.74952 0.43828 1.00000
Y17 Y 0.74951 0.75048 0.56172 1.00000
Y18 Y 0.00000 0.00000 0.19681 1.00000
Y19 Y 0.24961 0.74961 0.58456 1.00000
Y20 Y 0.50000 0.50000 0.67284 1.00000
Y21 Y 0.74999 0.24999 0.87603 1.00000
Y22 Y 0.50000 0.50000 0.19681 1.00000
Y23 Y 0.25039 0.75039 0.41544 1.00000
Y24 Y 0.75001 0.25001 0.12397 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
Tm2 Tm 1.00000 0.50000 1.00000 1.00000
