AcLa(HoTl2)2
Alexandria ALEXAlex-ID: agm004807553 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_337_spg166
La2Ho3Tl4 La3Tl5 Ho5Tl4 Ac2Ho3Tl4
2022-07-16 18:32:43.829195
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004807553).
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 agm004807553
data_agm004807553
_cell_length_a 5.55430
_cell_length_b 5.55430
_cell_length_c 9.63651
_cell_angle_alpha 73.25035
_cell_angle_beta 73.25035
_cell_angle_gamma 60.00000
_cell_volume 242.78577
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
La1 La 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.75053 0.75053 0.74841 1.00000
Ho2 Ho 0.24947 0.24947 0.25159 1.00000
Tl1 Tl 0.37695 0.37695 0.86914 1.00000
Tl2 Tl 0.87357 0.87357 0.37929 1.00000
Tl3 Tl 0.12643 0.12643 0.62071 1.00000
Tl4 Tl 0.62305 0.62305 0.13086 1.00000
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