Rb3Np2CoSe6
Alexandria ALEXAlex-ID: agm004636244 · 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_175_spg12
Rb2(NpSe2)3 Rb2NpSe3 Co9Se8 Co
2022-06-27 03:19:33.451210
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004636244).
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 agm004636244
data_agm004636244
_cell_length_a 7.17722
_cell_length_b 7.17722
_cell_length_c 8.30095
_cell_angle_alpha 98.30364
_cell_angle_beta 98.30364
_cell_angle_gamma 119.98346
_cell_volume 354.59864
_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
Rb1 Rb 0.16770 0.83230 0.50000 1.00000
Rb2 Rb 0.83230 0.16770 0.50000 1.00000
Rb3 Rb 0.50000 0.50000 0.50000 1.00000
Np1 Np 0.33345 0.66655 0.00000 1.00000
Np2 Np 0.66655 0.33345 0.00000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.93764 0.61702 0.81305 1.00000
Se2 Se 0.74140 0.74140 0.18795 1.00000
Se3 Se 0.06236 0.38298 0.18695 1.00000
Se4 Se 0.61702 0.93764 0.81305 1.00000
Se5 Se 0.25860 0.25860 0.81205 1.00000
Se6 Se 0.38298 0.06236 0.18695 1.00000
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