PmY3Al2
Alexandria ALEXAlex-ID: agm005608085 · 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_208_spg26
YAl Y2Al Pm
2023-08-07 03:14:14.999325
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608085).
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 agm005608085
data_agm005608085
_cell_length_a 5.13828
_cell_length_b 6.59888
_cell_length_c 9.60768
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 325.76634
_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
Pm1 Pm 0.50000 0.53288 0.54277 1.00000
Pm2 Pm 0.50000 0.03288 0.45723 1.00000
Y1 Y 0.00000 0.46951 0.95473 1.00000
Y2 Y 0.00000 0.96951 0.04527 1.00000
Y3 Y 0.50000 0.68229 0.17504 1.00000
Y4 Y 0.50000 0.18229 0.82496 1.00000
Y5 Y 0.00000 0.31733 0.31904 1.00000
Y6 Y 0.00000 0.81733 0.68096 1.00000
Al1 Al 0.50000 0.70726 0.85671 1.00000
Al2 Al 0.50000 0.20726 0.14329 1.00000
Al3 Al 0.00000 0.29072 0.64690 1.00000
Al4 Al 0.00000 0.79072 0.35310 1.00000
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