Ac(Cd3Au)2
Alexandria ALEXAlex-ID: agm097119331 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_6236_spg6
Ac2Cd12Au7 Ac(Cd2Au)2 AcCd11
2025-04-06 19:37:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097119331).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097119331
data_agm097119331
_cell_length_a 5.03324
_cell_length_b 5.93394
_cell_length_c 7.42744
_cell_angle_alpha 89.19362
_cell_angle_beta 94.05063
_cell_angle_gamma 90.65531
_cell_volume 221.24661
_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 0.49620 0.32033 0.10406 1.00000
Cd1 Cd 0.36219 0.82544 0.83830 1.00000
Cd2 Cd 0.40250 0.32446 0.61360 1.00000
Cd3 Cd 0.04043 0.59225 0.36950 1.00000
Cd4 Cd 0.88203 0.56381 0.75999 1.00000
Cd5 Cd 0.54676 0.84672 0.41739 1.00000
Cd6 Cd 0.89175 0.08390 0.73424 1.00000
Au1 Au 0.82985 0.83389 0.06736 1.00000
Au2 Au 0.04829 0.10921 0.34556 1.00000
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