Np2In3Co2
Alexandria ALEXAlex-ID: agm008944804 · 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
A2B2C3_572_spg2
In NpCo
2024-03-20 16:17:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008944804).
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 agm008944804
data_agm008944804
_cell_length_a 4.17422
_cell_length_b 7.14729
_cell_length_c 5.53335
_cell_angle_alpha 112.28854
_cell_angle_beta 90.01321
_cell_angle_gamma 106.97843
_cell_volume 144.93877
_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
Np1 Np 0.73819 0.47662 0.11620 1.00000
Np2 Np 0.26181 0.52338 0.88380 1.00000
In1 In 0.40608 0.81302 0.53991 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
In3 In 0.59392 0.18698 0.46009 1.00000
Co1 Co 0.19597 0.39157 0.33079 1.00000
Co2 Co 0.80403 0.60843 0.66921 1.00000
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