Dy3(GeRh)2
Alexandria ALEXAlex-ID: agm010020863 · 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
A2B2C3_203_spg71
Dy3(GeRh)2
2024-03-25 22:16:49.595660
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010020863).
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 agm010020863
data_agm010020863
_cell_length_a 9.42980
_cell_length_b 9.42980
_cell_length_c 9.42980
_cell_angle_alpha 156.16630
_cell_angle_beta 153.26407
_cell_angle_gamma 36.11733
_cell_volume 152.23959
_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
Dy1 Dy 0.00000 0.50000 0.50000 1.00000
Dy2 Dy 0.31744 0.31744 0.00000 1.00000
Dy3 Dy 0.68256 0.68256 0.00000 1.00000
Ge1 Ge 0.85616 0.85616 0.00000 1.00000
Ge2 Ge 0.14384 0.14384 0.00000 1.00000
Rh1 Rh 0.42769 0.92769 0.50000 1.00000
Rh2 Rh 0.57231 0.07231 0.50000 1.00000
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