Sm3Y2ErP6
Alexandria ALEXAlex-ID: agm034992479 · 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
Y3ErP4 YEr3P4 SmP
2025-03-12 23:01:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034992479).
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 agm034992479
data_agm034992479
_cell_length_a 9.06744
_cell_length_b 9.06744
_cell_length_c 8.10663
_cell_angle_alpha 77.05305
_cell_angle_beta 102.94695
_cell_angle_gamma 154.16462
_cell_volume 282.68024
_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 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.83415 0.16585 0.66841 1.00000
Sm3 Sm 0.16585 0.83415 0.33159 1.00000
Y1 Y 0.16736 0.83264 0.83460 1.00000
Y2 Y 0.83264 0.16736 0.16540 1.00000
Er1 Er 0.50000 0.50000 0.00000 1.00000
P1 P 0.33435 0.66565 0.92116 1.00000
P2 P 0.33311 0.66689 0.41282 1.00000
P3 P 0.66565 0.33435 0.07884 1.00000
P4 P 0.99825 0.00175 0.24297 1.00000
P5 P 0.00175 0.99825 0.75703 1.00000
P6 P 0.66689 0.33311 0.58718 1.00000
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