AcCeNdCo2
Alexandria ALEXAlex-ID: agm019528958 · 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_1654_spg12
CeNdCo2 Ac
2024-09-13 10:59:54.845017
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019528958).
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 agm019528958
data_agm019528958
_cell_length_a 9.46462
_cell_length_b 9.46462
_cell_length_c 7.37294
_cell_angle_alpha 68.27417
_cell_angle_beta 68.27417
_cell_angle_gamma 25.99037
_cell_volume 267.72845
_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 0.09227 0.09227 0.22091 1.00000
Ac2 Ac 0.90773 0.90773 0.77909 1.00000
Ce1 Ce 0.74550 0.74550 0.25484 1.00000
Ce2 Ce 0.25450 0.25450 0.74516 1.00000
Nd1 Nd 0.39467 0.39467 0.26979 1.00000
Nd2 Nd 0.60533 0.60533 0.73021 1.00000
Co1 Co 0.29389 0.29389 0.04362 1.00000
Co2 Co 0.70611 0.70611 0.95638 1.00000
Co3 Co 0.79703 0.79703 0.53192 1.00000
Co4 Co 0.20297 0.20297 0.46808 1.00000
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