Ac8RePd4
Alexandria ALEXAlex-ID: agm098094532 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1263_spg1
Ac7Pd3 Re AcPd
2025-06-18 03:00:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098094532).
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
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# CIF generated by HEAS from Alexandria entry agm098094532
data_agm098094532
_cell_length_a 4.83169
_cell_length_b 9.82156
_cell_length_c 10.16213
_cell_angle_alpha 63.33968
_cell_angle_beta 90.00055
_cell_angle_gamma 90.00101
_cell_volume 430.97071
_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 0.30772 0.28065 0.18291 1.00000
Ac2 Ac 0.30770 0.71183 0.11811 1.00000
Ac3 Ac 0.30773 0.58396 0.55069 1.00000
Ac4 Ac 0.30771 0.07462 0.75736 1.00000
Ac5 Ac 0.80766 0.94765 0.28858 1.00000
Ac6 Ac 0.80775 0.28761 0.45950 1.00000
Ac7 Ac 0.80769 0.29303 0.89417 1.00000
Ac8 Ac 0.80769 0.76495 0.75978 1.00000
Re1 Re 0.30758 0.07124 0.04981 1.00000
Pd1 Pd 0.80767 0.93670 0.95913 1.00000
Pd2 Pd 0.80773 0.49560 0.10360 1.00000
Pd3 Pd 0.80770 0.61943 0.34408 1.00000
Pd4 Pd 0.30769 0.93272 0.53230 1.00000
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