La8DyTm5
Alexandria ALEXAlex-ID: agm006111497 · 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
AB5C8_130_spg5
La7Tm La5Dy LaTm2
2023-08-13 16:51:48.459543
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111497).
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 agm006111497
data_agm006111497
_cell_length_a 8.64126
_cell_length_b 8.68341
_cell_length_c 8.63136
_cell_angle_alpha 114.21440
_cell_angle_beta 98.73968
_cell_angle_gamma 115.73310
_cell_volume 487.27893
_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 0.20520 0.73393 0.08233 1.00000
La2 La 0.08645 0.21392 0.74684 1.00000
La3 La 0.65264 0.22391 0.31469 1.00000
La4 La 0.69571 0.45495 0.93425 1.00000
La5 La 0.47866 0.54389 0.23998 1.00000
La6 La 0.53426 0.78685 0.87506 1.00000
La7 La 0.34695 0.26459 0.46918 1.00000
La8 La 0.08926 0.77882 0.42884 1.00000
Dy1 Dy 0.09302 0.50281 0.58609 1.00000
Tm1 Tm 0.95644 0.25152 0.08789 1.00000
Tm2 Tm 0.86267 0.96034 0.27595 1.00000
Tm3 Tm 0.83598 0.74781 0.70495 1.00000
Tm4 Tm 0.59778 0.99742 0.60052 1.00000
Tm5 Tm 0.31499 0.03924 0.90342 1.00000
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