Ac4Cd2Ru
Alexandria ALEXAlex-ID: agm005995693 · 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
AB2C4_1382_spg12
Ac5CdRu2 Ac4CdRu AcCd2
2023-10-15 17:58:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995693).
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 agm005995693
data_agm005995693
_cell_length_a 4.24573
_cell_length_b 7.66920
_cell_length_c 8.44250
_cell_angle_alpha 74.69640
_cell_angle_beta 75.43670
_cell_angle_gamma 73.93047
_cell_volume 250.02685
_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 0.09421 0.16919 0.64240 1.00000
Ac2 Ac 0.90579 0.83081 0.35760 1.00000
Ac3 Ac 0.34362 0.25219 0.06058 1.00000
Ac4 Ac 0.65638 0.74781 0.93942 1.00000
Cd1 Cd 0.38547 0.56554 0.66352 1.00000
Cd2 Cd 0.61453 0.43446 0.33648 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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