Ac3Pr3Y8
Alexandria ALEXAlex-ID: agm005690396 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_19_spg12
Pr2Y7 PrY2 Ac
2023-06-29 11:50:26.104515
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690396).
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 agm005690396
data_agm005690396
_cell_length_a 5.74413
_cell_length_b 10.52979
_cell_length_c 10.52979
_cell_angle_alpha 60.11276
_cell_angle_beta 74.17168
_cell_angle_gamma 74.17167
_cell_volume 524.05263
_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
Ac1 Ac 0.50000 0.00000 0.00000 1.00000
Ac2 Ac 1.00000 0.75453 0.24547 1.00000
Ac3 Ac 1.00000 0.24547 0.75453 1.00000
Pr1 Pr 0.49999 0.50000 0.50000 1.00000
Pr2 Pr 0.81685 0.18315 0.18315 1.00000
Pr3 Pr 0.18315 0.81685 0.81685 1.00000
Y1 Y 0.63008 0.11567 0.62418 1.00000
Y2 Y 0.36992 0.88433 0.37582 1.00000
Y3 Y 0.63008 0.62418 0.11567 1.00000
Y4 Y 0.36992 0.37582 0.88433 1.00000
Y5 Y 0.80727 0.84427 0.54120 1.00000
Y6 Y 0.19274 0.15573 0.45880 1.00000
Y7 Y 0.80727 0.54120 0.84427 1.00000
Y8 Y 0.19274 0.45880 0.15573 1.00000
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