Sm3HoC5
Alexandria ALEXAlex-ID: agm072356909 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1083_spg1
Sm4C5 Ho4C5
2024-09-23 20:56:07.759586
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072356909).
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 agm072356909
data_agm072356909
_cell_length_a 4.09579
_cell_length_b 4.94785
_cell_length_c 8.30354
_cell_angle_alpha 97.45094
_cell_angle_beta 106.79618
_cell_angle_gamma 90.58734
_cell_volume 159.53302
_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 0.70552 0.44695 0.37585 1.00000
Sm2 Sm 0.37858 0.94798 0.64781 1.00000
Sm3 Sm 0.43432 0.49931 0.94413 1.00000
Ho1 Ho 0.05793 0.02678 0.12316 1.00000
C1 C 0.47973 0.00284 0.98396 1.00000
C2 C 0.10563 0.53898 0.19698 1.00000
C3 C 0.73156 0.51005 0.69762 1.00000
C4 C 0.91908 0.30259 0.68080 1.00000
C5 C 0.18765 0.72452 0.34969 1.00000
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