Ce3Y2PuP6
Alexandria ALEXAlex-ID: agm034335802 · 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_201_spg12
CeY2P3 CeP CePuP2
2024-12-06 03:00:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034335802).
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 agm034335802
data_agm034335802
_cell_length_a 9.06238
_cell_length_b 9.06238
_cell_length_c 8.08401
_cell_angle_alpha 77.04558
_cell_angle_beta 102.95442
_cell_angle_gamma 154.14527
_cell_volume 281.76377
_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 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.83408 0.16592 0.16982 1.00000
Ce3 Ce 0.16592 0.83408 0.83018 1.00000
Y1 Y 0.16760 0.83240 0.33543 1.00000
Y2 Y 0.83240 0.16760 0.66457 1.00000
Pu1 Pu 0.50000 0.50000 0.50000 1.00000
P1 P 0.33390 0.66610 0.41832 1.00000
P2 P 0.33282 0.66718 0.91513 1.00000
P3 P 0.66610 0.33390 0.58168 1.00000
P4 P 0.99869 0.00131 0.74510 1.00000
P5 P 0.00131 0.99869 0.25490 1.00000
P6 P 0.66718 0.33282 0.08487 1.00000
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