Ac8Pm2Y3
Alexandria ALEXAlex-ID: agm005604401 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_364_spg2
Pm5Y PmY2 Ac
2023-06-16 17:43:44.524941
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604401).
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 agm005604401
data_agm005604401
_cell_length_a 6.68449
_cell_length_b 6.67058
_cell_length_c 12.69202
_cell_angle_alpha 69.74995
_cell_angle_beta 84.98004
_cell_angle_gamma 80.39557
_cell_volume 523.23688
_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 0.08309 0.39181 0.15005 1.00000
Ac2 Ac 0.91691 0.60819 0.84995 1.00000
Ac3 Ac 0.15438 0.77435 0.30631 1.00000
Ac4 Ac 0.84562 0.22565 0.69369 1.00000
Ac5 Ac 0.38378 0.92043 0.77623 1.00000
Ac6 Ac 0.30675 0.54217 0.61682 1.00000
Ac7 Ac 0.69325 0.45783 0.38318 1.00000
Ac8 Ac 0.61622 0.07957 0.22377 1.00000
Pm1 Pm 0.76672 0.85031 0.53709 1.00000
Pm2 Pm 0.23328 0.14969 0.46291 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.46216 0.29885 0.92708 1.00000
Y3 Y 0.53784 0.70115 0.07292 1.00000
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