Ce3Th4NpS8
Alexandria ALEXAlex-ID: agm044891830 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_20_spg12
CeThS2 Th7S12 CeTh3S4 Np2S
2024-11-01 09:35:48.240958
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044891830).
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 agm044891830
data_agm044891830
_cell_length_a 8.07291
_cell_length_b 8.07291
_cell_length_c 8.07291
_cell_angle_alpha 59.42356
_cell_angle_beta 59.42356
_cell_angle_gamma 59.42356
_cell_volume 367.14883
_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 0.00000 0.50000 0.00000 1.00000
Ce2 Ce 0.50000 0.00000 0.00000 1.00000
Ce3 Ce 0.00000 0.00000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.50000 0.50000 0.00000 1.00000
Th3 Th 0.50000 0.00000 0.50000 1.00000
Th4 Th 0.00000 0.50000 0.50000 1.00000
Np1 Np 0.50000 0.50000 0.50000 1.00000
S1 S 0.74831 0.25387 0.25387 1.00000
S2 S 0.25387 0.74831 0.25387 1.00000
S3 S 0.24900 0.24900 0.24900 1.00000
S4 S 0.25387 0.25387 0.74831 1.00000
S5 S 0.74613 0.74613 0.25169 1.00000
S6 S 0.75100 0.75100 0.75100 1.00000
S7 S 0.74613 0.25169 0.74613 1.00000
S8 S 0.25169 0.74613 0.74613 1.00000
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