LaTb2(SmDy2)2
Alexandria ALEXAlex-ID: agm024196886 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_553_spg12
La3Tb4Sm LaTb4Sm3 La3Sm5 Tb(SmDy3)2
2025-02-05 12:44:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024196886).
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 agm024196886
data_agm024196886
_cell_length_a 9.55540
_cell_length_b 9.55540
_cell_length_c 9.61109
_cell_angle_alpha 64.96653
_cell_angle_beta 115.03347
_cell_angle_gamma 158.14892
_cell_volume 294.73147
_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 0.00000 0.00000 0.00000 1.00000
Tb1 Tb 0.33154 0.66846 0.99694 1.00000
Tb2 Tb 0.66846 0.33154 0.00306 1.00000
Sm1 Sm 0.85221 0.14779 0.33431 1.00000
Sm2 Sm 0.14779 0.85221 0.66569 1.00000
Dy1 Dy 0.81452 0.18548 0.66460 1.00000
Dy2 Dy 0.18548 0.81452 0.33540 1.00000
Dy3 Dy 0.51918 0.48082 0.33492 1.00000
Dy4 Dy 0.48082 0.51918 0.66508 1.00000
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