Ac3(CeCo2)2
Alexandria ALEXAlex-ID: agm005642796 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_846_spg15
CeCo2 Ac
2023-06-26 22:48:47.009212
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642796).
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 agm005642796
data_agm005642796
_cell_length_a 5.88302
_cell_length_b 9.56605
_cell_length_c 9.56604
_cell_angle_alpha 73.70067
_cell_angle_beta 90.17330
_cell_angle_gamma 90.17327
_cell_volume 516.70944
_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 0.88706 0.98151 0.28412 1.00000
Ac2 Ac 0.61294 0.71588 0.01849 1.00000
Ac3 Ac 0.11294 0.01849 0.71588 1.00000
Ac4 Ac 0.38706 0.28412 0.98151 1.00000
Ac5 Ac 0.25000 0.62568 0.37432 1.00000
Ac6 Ac 0.75000 0.37432 0.62568 1.00000
Ce1 Ce 0.40882 0.21610 0.39074 1.00000
Ce2 Ce 0.09118 0.60926 0.78390 1.00000
Ce3 Ce 0.59118 0.78390 0.60926 1.00000
Ce4 Ce 0.90882 0.39074 0.21610 1.00000
Co1 Co 0.37255 0.92428 0.42643 1.00000
Co2 Co 0.12745 0.57358 0.07572 1.00000
Co3 Co 0.62745 0.07572 0.57357 1.00000
Co4 Co 0.87255 0.42642 0.92428 1.00000
Co5 Co 0.92768 0.21401 0.42516 1.00000
Co6 Co 0.57232 0.57484 0.78599 1.00000
Co7 Co 0.07232 0.78599 0.57484 1.00000
Co8 Co 0.42768 0.42516 0.21401 1.00000
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