Er3U(PaP3)2
Alexandria ALEXAlex-ID: agm004621290 · 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
UPa3P4 Er5PaP6 UP
2022-06-28 19:14:35.945636
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004621290).
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 agm004621290
data_agm004621290
_cell_length_a 3.95434
_cell_length_b 7.92586
_cell_length_c 8.85513
_cell_angle_alpha 103.11739
_cell_angle_beta 102.90172
_cell_angle_gamma 90.00000
_cell_volume 263.09234
_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
Er1 Er 0.50000 0.50000 0.00000 1.00000
Er2 Er 0.83267 0.16715 0.66534 1.00000
Er3 Er 0.16733 0.83285 0.33466 1.00000
U1 U 0.50000 0.00000 0.00000 1.00000
Pa1 Pa 0.83469 0.66914 0.66939 1.00000
Pa2 Pa 0.16531 0.33086 0.33061 1.00000
P1 P 0.33399 0.91747 0.66799 1.00000
P2 P 0.66738 0.58212 0.33476 1.00000
P3 P 0.66601 0.08253 0.33201 1.00000
P4 P 0.99951 0.24831 0.99902 1.00000
P5 P 0.00049 0.75169 0.00098 1.00000
P6 P 0.33262 0.41788 0.66524 1.00000
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