AcCePrCo2
Alexandria ALEXAlex-ID: agm021789232 · 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
ABCD2_1581_spg12
CePrCo2 Ac
2024-09-14 17:20:28.440525
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021789232).
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 agm021789232
data_agm021789232
_cell_length_a 9.53711
_cell_length_b 9.53711
_cell_length_c 7.38009
_cell_angle_alpha 68.38405
_cell_angle_beta 68.38405
_cell_angle_gamma 25.79094
_cell_volume 270.40165
_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 0.09375 0.09375 0.72202 1.00000
Ac2 Ac 0.90625 0.90625 0.27798 1.00000
Ce1 Ce 0.74621 0.74621 0.75404 1.00000
Ce2 Ce 0.25379 0.25379 0.24596 1.00000
Pr1 Pr 0.39503 0.39503 0.77049 1.00000
Pr2 Pr 0.60497 0.60497 0.22951 1.00000
Co1 Co 0.29368 0.29368 0.54324 1.00000
Co2 Co 0.70632 0.70632 0.45676 1.00000
Co3 Co 0.79622 0.79622 0.03345 1.00000
Co4 Co 0.20378 0.20378 0.96655 1.00000
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