AcPmAg
Alexandria ALEXAlex-ID: agm005651330 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_10037_spg14
PmAg Ac
2023-06-16 19:59:43.789269
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651330).
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 agm005651330
data_agm005651330
_cell_length_a 7.39687
_cell_length_b 7.37203
_cell_length_c 8.19447
_cell_angle_alpha 65.64029
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 407.06333
_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 0.16379 0.74036 0.90743 1.00000
Ac2 Ac 0.33621 0.74036 0.40743 1.00000
Ac3 Ac 0.83621 0.25964 0.09257 1.00000
Ac4 Ac 0.66379 0.25964 0.59257 1.00000
Pm1 Pm 0.66721 0.80807 0.02355 1.00000
Pm2 Pm 0.33279 0.19193 0.97645 1.00000
Pm3 Pm 0.16721 0.19193 0.47645 1.00000
Pm4 Pm 0.83279 0.80807 0.52355 1.00000
Ag1 Ag 0.54541 0.58328 0.79959 1.00000
Ag2 Ag 0.45459 0.41672 0.20041 1.00000
Ag3 Ag 0.95459 0.58328 0.29959 1.00000
Ag4 Ag 0.04541 0.41672 0.70041 1.00000
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