Ac8Cd2Pd
Alexandria ALEXAlex-ID: agm003528403 · 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
AB2C8_277_spg12
Ac7Pd3 AcCd Ac
2022-03-17 04:08:22.755462
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003528403).
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 agm003528403
data_agm003528403
_cell_length_a 5.54845
_cell_length_b 7.63259
_cell_length_c 10.37444
_cell_angle_alpha 98.16783
_cell_angle_beta 105.51018
_cell_angle_gamma 90.00000
_cell_volume 418.72121
_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 0.40666 0.53707 0.81333 1.00000
Ac2 Ac 0.64817 0.97944 0.29634 1.00000
Ac3 Ac 0.79153 0.68482 0.58305 1.00000
Ac4 Ac 0.98316 0.23002 0.96632 1.00000
Ac5 Ac 0.20847 0.31518 0.41695 1.00000
Ac6 Ac 0.35183 0.02056 0.70366 1.00000
Ac7 Ac 0.59334 0.46293 0.18667 1.00000
Ac8 Ac 0.01684 0.76998 0.03368 1.00000
Cd1 Cd 0.81091 0.24948 0.62182 1.00000
Cd2 Cd 0.18909 0.75052 0.37818 1.00000
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
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