YEr3Al2
Alexandria ALEXAlex-ID: agm049508338 · 空间群: Pmc2_1 (#26)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_388_spg4
YErAl Er2Al
2024-09-25 11:45:44.278603
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm049508338).
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 agm049508338
data_agm049508338
_cell_length_a 5.06979
_cell_length_b 6.50738
_cell_length_c 9.40492
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 310.27824
_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
Y1 Y 0.50000 0.19434 0.17682 1.00000
Y2 Y 0.50000 0.69434 0.82318 1.00000
Er1 Er 0.50000 0.03583 0.53947 1.00000
Er2 Er 0.00000 0.32042 0.67759 1.00000
Er3 Er 0.50000 0.53583 0.46053 1.00000
Er4 Er 0.00000 0.82042 0.32241 1.00000
Er5 Er 0.00000 0.98063 0.95943 1.00000
Er6 Er 0.00000 0.48063 0.04057 1.00000
Al1 Al 0.00000 0.30105 0.35454 1.00000
Al2 Al 0.50000 0.21334 0.85149 1.00000
Al3 Al 0.00000 0.80105 0.64546 1.00000
Al4 Al 0.50000 0.71334 0.14851 1.00000
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