CaPmAg
Alexandria ALEXAlex-ID: agm005676208 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_284_spg63
CaPmAg2 Ca3Ag2 Pm
2023-06-17 01:36:32.896669
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676208).
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 agm005676208
data_agm005676208
_cell_length_a 3.67848
_cell_length_b 5.50810
_cell_length_c 8.81608
_cell_angle_alpha 89.92321
_cell_angle_beta 102.04167
_cell_angle_gamma 90.00000
_cell_volume 174.69590
_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
Ca1 Ca 0.57743 0.25219 0.15486 1.00000
Ca2 Ca 0.42257 0.74781 0.84514 1.00000
Pm1 Pm 0.72249 0.75033 0.44498 1.00000
Pm2 Pm 0.27751 0.24967 0.55502 1.00000
Ag1 Ag 0.92380 0.24551 0.84759 1.00000
Ag2 Ag 0.07620 0.75449 0.15241 1.00000
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