SmEr(PuSe2)2
Alexandria ALEXAlex-ID: agm035432467 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_420_spg10
SmPuSe2 ErPuSe2
2024-12-04 11:16:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035432467).
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}
}
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# CIF generated by HEAS from Alexandria entry agm035432467
data_agm035432467
_cell_length_a 7.09914
_cell_length_b 4.11703
_cell_length_c 7.20691
_cell_angle_alpha 90.00000
_cell_angle_beta 109.46526
_cell_angle_gamma 90.00000
_cell_volume 198.59979
_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
Sm1 Sm 0.00000 0.50000 0.00000 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Pu1 Pu 0.50000 0.00000 0.00000 1.00000
Pu2 Pu 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.75087 0.00000 0.74426 1.00000
Se2 Se 0.24913 0.00000 0.25574 1.00000
Se3 Se 0.75512 0.50000 0.25630 1.00000
Se4 Se 0.24488 0.50000 0.74370 1.00000
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