LaY3Tl
Alexandria ALEXAlex-ID: agm003715212 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_5309_spg62
La3Tl Y5Tl3 LaY2
2022-04-18 05:04:49.500856
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003715212).
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 agm003715212
data_agm003715212
_cell_length_a 7.91145
_cell_length_b 7.91145
_cell_length_c 14.30586
_cell_angle_alpha 97.85575
_cell_angle_beta 97.85575
_cell_angle_gamma 50.42314
_cell_volume 682.24119
_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 0.86325 0.36476 0.88626 1.00000
La2 La 0.63524 0.13675 0.61374 1.00000
La3 La 0.13675 0.63524 0.11374 1.00000
La4 La 0.36476 0.86325 0.38626 1.00000
Y1 Y 0.84323 0.84422 0.84326 1.00000
Y2 Y 0.15578 0.15677 0.65674 1.00000
Y3 Y 0.15677 0.15578 0.15674 1.00000
Y4 Y 0.84422 0.84323 0.34326 1.00000
Y5 Y 0.65571 0.65711 0.65604 1.00000
Y6 Y 0.34289 0.34429 0.84396 1.00000
Y7 Y 0.34429 0.34289 0.34396 1.00000
Y8 Y 0.65711 0.65571 0.15604 1.00000
Y9 Y 0.28686 0.78750 0.96288 1.00000
Y10 Y 0.21250 0.71314 0.53712 1.00000
Y11 Y 0.78750 0.28686 0.46288 1.00000
Y12 Y 0.71314 0.21250 0.03712 1.00000
Tl1 Tl 0.00000 0.50000 0.50000 1.00000
Tl2 Tl 0.50000 0.00000 0.00000 1.00000
Tl3 Tl 0.75015 0.24985 0.25000 1.00000
Tl4 Tl 0.24985 0.75015 0.75000 1.00000
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