Ce2Nd3SmN6
Alexandria ALEXAlex-ID: agm033771237 · 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
AB2C3D6_166_spg12
CeNd2N3 CeSm2N3
2024-11-10 12:34:34.192943
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033771237).
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 agm033771237
data_agm033771237
_cell_length_a 8.05840
_cell_length_b 8.05840
_cell_length_c 7.22097
_cell_angle_alpha 76.97552
_cell_angle_beta 76.97552
_cell_angle_gamma 25.88887
_cell_volume 199.19142
_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
Ce1 Ce 0.83395 0.83395 0.33174 1.00000
Ce2 Ce 0.16605 0.16605 0.66826 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.83352 0.83352 0.83431 1.00000
Nd3 Nd 0.16648 0.16648 0.16569 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
N1 N 0.33405 0.33405 0.09428 1.00000
N2 N 0.67014 0.67014 0.42599 1.00000
N3 N 0.66595 0.66595 0.90572 1.00000
N4 N 0.00531 0.00531 0.74980 1.00000
N5 N 0.99469 0.99469 0.25020 1.00000
N6 N 0.32986 0.32986 0.57401 1.00000
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