La2Tl3Rh2
Alexandria ALEXAlex-ID: agm010000733 · 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
A2B2C3_552_spg12
LaTlRh Tl
2024-03-31 20:42:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010000733).
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
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# CIF generated by HEAS from Alexandria entry agm010000733
data_agm010000733
_cell_length_a 4.92113
_cell_length_b 4.92113
_cell_length_c 8.96171
_cell_angle_alpha 74.03085
_cell_angle_beta 74.03085
_cell_angle_gamma 60.01215
_cell_volume 178.23807
_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 0.08761 0.08761 0.73784 1.00000
La2 La 0.91239 0.91239 0.26216 1.00000
Tl1 Tl 0.50000 0.50000 0.50000 1.00000
Tl2 Tl 0.31381 0.31381 0.05868 1.00000
Tl3 Tl 0.68619 0.68619 0.94132 1.00000
Rh1 Rh 0.19663 0.19663 0.41005 1.00000
Rh2 Rh 0.80337 0.80337 0.58995 1.00000
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