Pm4Y7In
Alexandria ALEXAlex-ID: agm003665232 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_93_spg12
Pm5Y PmY2 Y2In
2022-04-20 18:14:30.161105
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003665232).
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 agm003665232
data_agm003665232
_cell_length_a 5.94034
_cell_length_b 8.63821
_cell_length_c 9.73106
_cell_angle_alpha 60.70184
_cell_angle_beta 72.22825
_cell_angle_gamma 69.88893
_cell_volume 403.15459
_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 0.59855 0.28816 0.51474 1.00000
Pm2 Pm 0.40145 0.71184 0.48526 1.00000
Pm3 Pm 0.73121 0.81152 0.72606 1.00000
Pm4 Pm 0.26879 0.18848 0.27394 1.00000
Y1 Y 0.84042 0.98606 0.33310 1.00000
Y2 Y 0.15958 0.01394 0.66690 1.00000
Y3 Y 0.06478 0.59486 0.27557 1.00000
Y4 Y 0.93522 0.40514 0.72443 1.00000
Y5 Y 0.28398 0.53558 0.89646 1.00000
Y6 Y 0.50000 0.00000 0.00000 1.00000
Y7 Y 0.71602 0.46442 0.10354 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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