Sm4Y4Ho3
Alexandria ALEXAlex-ID: agm005693095 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_146_spg12
Sm3(Y2Ho)2 Sm3(YHo2)2 Sm2Y
2023-06-30 03:02:21.379031
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693095).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005693095
data_agm005693095
_cell_length_a 3.59964
_cell_length_b 9.29953
_cell_length_c 12.09208
_cell_angle_alpha 112.61468
_cell_angle_beta 98.55960
_cell_angle_gamma 89.99999
_cell_volume 368.76971
_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 0.64238 0.46358 0.28473 1.00000
Sm2 Sm 0.35762 0.17885 0.71527 1.00000
Sm3 Sm 0.35762 0.53642 0.71527 1.00000
Sm4 Sm 0.64238 0.82115 0.28473 1.00000
Y1 Y 0.74172 0.24173 0.48346 1.00000
Y2 Y 0.25828 0.75827 0.51654 1.00000
Y3 Y 0.50000 0.81770 1.00000 1.00000
Y4 Y 0.50000 0.18230 0.00000 1.00000
Ho1 Ho 0.89133 0.89133 0.78266 1.00000
Ho2 Ho 0.10867 0.10867 0.21734 1.00000
Ho3 Ho 0.00000 0.50000 0.00000 1.00000
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