Sm2Dy(ZnGe)2
Alexandria ALEXAlex-ID: agm004546403 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_144_spg166
SmZnGe Sm2Dy3Ge4 SmZn2
2022-06-23 03:58:11.107345
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004546403).
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 agm004546403
data_agm004546403
_cell_length_a 4.15941
_cell_length_b 4.15941
_cell_length_c 11.50362
_cell_angle_alpha 79.58439
_cell_angle_beta 79.58439
_cell_angle_gamma 60.00000
_cell_volume 168.55971
_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 0.12196 0.12196 0.63412 1.00000
Sm2 Sm 0.87804 0.87804 0.36588 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.60844 0.60844 0.17469 1.00000
Zn2 Zn 0.39156 0.39156 0.82531 1.00000
Ge1 Ge 0.72863 0.72863 0.81412 1.00000
Ge2 Ge 0.27137 0.27137 0.18588 1.00000
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