La5Tb3Rh
Alexandria ALEXAlex-ID: agm072269490 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1099_spg8
Tb3Rh La
2024-09-24 22:37:28.778922
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072269490).
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}
}
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# CIF generated by HEAS from Alexandria entry agm072269490
data_agm072269490
_cell_length_a 6.49358
_cell_length_b 6.53041
_cell_length_c 7.59242
_cell_angle_alpha 91.09301
_cell_angle_beta 73.00223
_cell_angle_gamma 80.59197
_cell_volume 302.99212
_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 0.13708 0.94944 0.21445 1.00000
La2 La 0.17435 0.45619 0.96707 1.00000
La3 La 0.63953 0.69868 0.31824 1.00000
La4 La 0.63278 0.75842 0.82366 1.00000
La5 La 0.62429 0.18993 0.12689 1.00000
Tb1 Tb 0.14577 0.96058 0.70344 1.00000
Tb2 Tb 0.63581 0.21741 0.57286 1.00000
Tb3 Tb 0.13266 0.45950 0.46810 1.00000
Rh1 Rh 0.86488 0.34453 0.79875 1.00000
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