Ac3NdCo2
Alexandria ALEXAlex-ID: agm005689013 · 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
AB2C3_986_spg12
Ac3Co NdCo
2023-08-17 09:28:16.706813
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689013).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005689013
data_agm005689013
_cell_length_a 4.21299
_cell_length_b 9.05855
_cell_length_c 10.90745
_cell_angle_alpha 82.11950
_cell_angle_beta 78.86480
_cell_angle_gamma 76.55322
_cell_volume 395.37513
_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 0.06227 0.07028 0.80519 1.00000
Ac2 Ac 0.93773 0.92972 0.19481 1.00000
Ac3 Ac 0.68925 0.67759 0.94391 1.00000
Ac4 Ac 0.31075 0.32241 0.05609 1.00000
Ac5 Ac 0.81785 0.81088 0.55342 1.00000
Ac6 Ac 0.18215 0.18912 0.44658 1.00000
Nd1 Nd 0.44041 0.42042 0.69875 1.00000
Nd2 Nd 0.55959 0.57958 0.30125 1.00000
Co1 Co 0.87656 0.37521 0.87168 1.00000
Co2 Co 0.12344 0.62479 0.12832 1.00000
Co3 Co 0.62478 0.12521 0.62523 1.00000
Co4 Co 0.37522 0.87479 0.37477 1.00000
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