La3Ho6Tl
Alexandria ALEXAlex-ID: agm003576993 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_284_spg36
LaHo2 La5Tl3 Ho
2022-03-29 15:58:49.197132
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003576993).
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 agm003576993
data_agm003576993
_cell_length_a 6.38442
_cell_length_b 10.26484
_cell_length_c 10.26484
_cell_angle_alpha 99.17820
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 664.09423
_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 0.43676 0.88815 0.71253 1.00000
La2 La 0.93676 0.71253 0.88815 1.00000
La3 La 0.09623 0.35960 0.64040 1.00000
La4 La 0.59623 0.64040 0.35960 1.00000
La5 La 0.93676 0.11185 0.28747 1.00000
La6 La 0.43676 0.28747 0.11185 1.00000
Ho1 Ho 0.09909 0.67655 0.56092 1.00000
Ho2 Ho 0.59909 0.56092 0.67655 1.00000
Ho3 Ho 0.40383 0.59495 0.98733 1.00000
Ho4 Ho 0.90383 0.98733 0.59495 1.00000
Ho5 Ho 0.26378 0.95333 0.04667 1.00000
Ho6 Ho 0.59146 0.24726 0.75274 1.00000
Ho7 Ho 0.09146 0.75274 0.24726 1.00000
Ho8 Ho 0.76378 0.04667 0.95333 1.00000
Ho9 Ho 0.40383 0.01267 0.40505 1.00000
Ho10 Ho 0.90383 0.40505 0.01267 1.00000
Ho11 Ho 0.09909 0.43908 0.32345 1.00000
Ho12 Ho 0.59909 0.32345 0.43908 1.00000
Tl1 Tl 0.15453 0.15553 0.84447 1.00000
Tl2 Tl 0.65453 0.84447 0.15553 1.00000
