La2TbTm3
Alexandria ALEXAlex-ID: agm005588331 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2538_spg2
TbTm5 La3Tb5 LaTm2
2023-08-19 03:31:10.795079
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005588331).
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 agm005588331
data_agm005588331
_cell_length_a 6.20907
_cell_length_b 6.20604
_cell_length_c 12.93633
_cell_angle_alpha 108.84178
_cell_angle_beta 123.85358
_cell_angle_gamma 80.65284
_cell_volume 391.69408
_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 0.74880 0.12521 0.37448 1.00000
La2 La 0.25120 0.87479 0.62552 1.00000
La3 La 0.75060 0.62505 0.87566 1.00000
La4 La 0.24940 0.37495 0.12434 1.00000
Tb1 Tb 0.91951 0.53983 0.29036 1.00000
Tb2 Tb 0.08049 0.46017 0.70964 1.00000
Tm1 Tm 0.58077 0.71096 0.45980 1.00000
Tm2 Tm 0.41923 0.28904 0.54020 1.00000
Tm3 Tm 0.58029 0.20871 0.95969 1.00000
Tm4 Tm 0.91922 0.04089 0.79076 1.00000
Tm5 Tm 0.41971 0.79129 0.04031 1.00000
Tm6 Tm 0.08078 0.95911 0.20924 1.00000
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