La6ErTm5
Alexandria ALEXAlex-ID: agm006117943 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_74_spg10
ErTm5 La7Tm LaEr2
2023-08-29 22:48:15.169085
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117943).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006117943
data_agm006117943
_cell_length_a 6.11181
_cell_length_b 7.44178
_cell_length_c 8.87418
_cell_angle_alpha 89.99991
_cell_angle_beta 94.11450
_cell_angle_gamma 89.99987
_cell_volume 402.58167
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.66682 0.50000 0.33340 1.00000
Tm2 Tm 0.33343 0.99999 0.66649 1.00000
Tm3 Tm 0.00000 0.50000 0.00000 1.00000
Tm4 Tm 0.66657 0.00001 0.33351 1.00000
Tm5 Tm 0.33318 0.50000 0.66660 1.00000
La1 La 0.83320 0.74986 0.66646 1.00000
La2 La 0.83320 0.25012 0.66645 1.00000
La3 La 0.49999 0.25023 0.00000 1.00000
La4 La 0.50001 0.74977 1.00000 1.00000
La5 La 0.16680 0.74988 0.33355 1.00000
La6 La 0.16680 0.25014 0.33354 1.00000
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