Sm4In(Ge2Pd)2
Alexandria ALEXAlex-ID: agm020014772 · 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
AB2C4D4_13_spg12
SmGePd Sm5In3Ge4Pd3 Sm2Ge3Pd SmGe
2024-12-03 04:37:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020014772).
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 agm020014772
data_agm020014772
_cell_length_a 8.35611
_cell_length_b 8.35611
_cell_length_c 7.26677
_cell_angle_alpha 72.81808
_cell_angle_beta 107.18192
_cell_angle_gamma 149.85184
_cell_volume 242.61642
_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 0.65569 0.34431 0.92552 1.00000
Sm2 Sm 0.34431 0.65569 0.07448 1.00000
Sm3 Sm 0.58710 0.41290 0.38070 1.00000
Sm4 Sm 0.41290 0.58710 0.61930 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.93791 0.06209 0.34167 1.00000
Ge2 Ge 0.06209 0.93791 0.65833 1.00000
Ge3 Ge 0.80547 0.19453 0.75278 1.00000
Ge4 Ge 0.19453 0.80547 0.24722 1.00000
Pd1 Pd 0.78168 0.21832 0.36683 1.00000
Pd2 Pd 0.21832 0.78168 0.63317 1.00000
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