Cs3Ce(NdSe3)2
Alexandria ALEXAlex-ID: agm034791950 · 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_28_spg12
CsCeSe2 CsNdSe2
2024-11-29 08:34:51.828959
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034791950).
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 agm034791950
data_agm034791950
_cell_length_a 10.76655
_cell_length_b 10.76655
_cell_length_c 9.81668
_cell_angle_alpha 69.06049
_cell_angle_beta 110.93951
_cell_angle_gamma 156.30504
_cell_volume 425.72011
_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
Cs1 Cs 0.50000 0.50000 0.50000 1.00000
Cs2 Cs 0.16690 0.83310 0.83345 1.00000
Cs3 Cs 0.83310 0.16690 0.16655 1.00000
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Nd1 Nd 0.16722 0.83278 0.33422 1.00000
Nd2 Nd 0.83278 0.16722 0.66578 1.00000
Se1 Se 0.65352 0.34648 0.11747 1.00000
Se2 Se 0.32013 0.67987 0.44926 1.00000
Se3 Se 0.34648 0.65352 0.88253 1.00000
Se4 Se 0.98617 0.01383 0.78339 1.00000
Se5 Se 0.01383 0.98617 0.21661 1.00000
Se6 Se 0.67987 0.32013 0.55074 1.00000
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