La2Y5HoEr
Alexandria ALEXAlex-ID: agm005153253 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
Ho7Er2 Y5Er LaY2 HoEr5
2023-01-19 18:30:36.114192
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005153253).
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 agm005153253
data_agm005153253
_cell_length_a 5.66548
_cell_length_b 10.44466
_cell_length_c 10.67800
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.73654
_cell_volume 608.17776
_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 0.88505 0.77011 0.81850 1.00000
La2 La 0.11356 0.22711 0.73405 1.00000
La3 La 0.11495 0.22989 0.31850 1.00000
La4 La 0.88644 0.77289 0.23405 1.00000
Y1 Y 0.38283 0.76566 0.02132 1.00000
Y2 Y 0.72124 0.44248 0.81380 1.00000
Y3 Y 0.48095 0.96190 0.73969 1.00000
Y4 Y 0.29953 0.59906 0.70359 1.00000
Y5 Y 0.98450 0.96900 0.52083 1.00000
Y6 Y 0.61717 0.23434 0.52132 1.00000
Y7 Y 0.27876 0.55752 0.31380 1.00000
Y8 Y 0.51905 0.03810 0.23969 1.00000
Y9 Y 0.70047 0.40094 0.20359 1.00000
Y10 Y 0.01550 0.03100 0.02083 1.00000
Ho1 Ho 0.80260 0.60521 0.51289 1.00000
Ho2 Ho 0.19740 0.39479 0.01289 1.00000
Er1 Er 0.58854 0.17708 0.95930 1.00000
Er2 Er 0.41146 0.82292 0.45930 1.00000
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