Sm2Al3Ge
Alexandria ALEXAlex-ID: agm013545201 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_207_spg8
SmAlGe SmAl2
2025-04-13 14:55:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013545201).
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 agm013545201
data_agm013545201
_cell_length_a 5.99477
_cell_length_b 5.99477
_cell_length_c 7.17832
_cell_angle_alpha 51.99318
_cell_angle_beta 128.00682
_cell_angle_gamma 137.57599
_cell_volume 130.66492
_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 0.56276 0.43724 0.80787 1.00000
Sm2 Sm 0.44010 0.55990 0.19128 1.00000
Al1 Al 0.83709 0.16291 0.38395 1.00000
Al2 Al 0.84207 0.15793 0.78042 1.00000
Al3 Al 0.16272 0.83728 0.22234 1.00000
Ge1 Ge 0.16025 0.83975 0.61413 1.00000
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