Pm4CdCo2
Alexandria ALEXAlex-ID: agm003458469 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1067_spg5
Pm4CdCo Pm2CdCo2 PmCo
2022-02-16 16:42:06.983160
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458469).
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 agm003458469
data_agm003458469
_cell_length_a 7.25845
_cell_length_b 7.25793
_cell_length_c 9.17167
_cell_angle_alpha 125.60133
_cell_angle_beta 106.95452
_cell_angle_gamma 84.14094
_cell_volume 374.36327
_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
Pm1 Pm 0.91637 0.09826 0.24964 1.00000
Pm2 Pm 0.38429 0.62761 0.24079 1.00000
Pm3 Pm 0.84740 0.66583 0.74783 1.00000
Pm4 Pm 0.84908 0.05134 0.60741 1.00000
Pm5 Pm 0.44234 0.24037 0.39257 1.00000
Pm6 Pm 0.38837 0.14354 0.76039 1.00000
Pm7 Pm 0.38472 0.72084 0.89242 1.00000
Pm8 Pm 0.82911 0.49233 0.10755 1.00000
Cd1 Cd 0.13299 0.63306 0.50020 1.00000
Cd2 Cd 0.14365 0.14337 0.99946 1.00000
Co1 Co 0.64768 0.40801 0.76795 1.00000
Co2 Co 0.63985 0.87957 0.23240 1.00000
Co3 Co 0.55907 0.18787 0.10318 1.00000
Co4 Co 0.08509 0.45799 0.89821 1.00000
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