Y7(GaRh)2
Alexandria ALEXAlex-ID: agm008267355 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_834_spg12
Y7Rh3 Y3Ga2 Y5Rh3
2024-03-04 19:23:56.563058
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008267355).
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 agm008267355
data_agm008267355
_cell_length_a 9.44644
_cell_length_b 9.44644
_cell_length_c 9.44644
_cell_angle_alpha 157.30969
_cell_angle_beta 118.46756
_cell_angle_gamma 66.46780
_cell_volume 283.80664
_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
Y1 Y 0.08054 0.18247 0.89807 1.00000
Y2 Y 0.40392 0.14316 0.26076 1.00000
Y3 Y 0.02440 0.50000 0.52440 1.00000
Y4 Y 0.47828 0.38213 0.09615 1.00000
Y5 Y 0.71402 0.61787 0.09615 1.00000
Y6 Y 0.71560 0.81753 0.89807 1.00000
Y7 Y 0.11760 0.85684 0.26076 1.00000
Ga1 Ga 0.78177 0.00000 0.78177 1.00000
Ga2 Ga 0.34134 0.50000 0.84134 1.00000
Rh1 Rh 0.85438 0.25617 0.59821 1.00000
Rh2 Rh 0.34203 0.74383 0.59821 1.00000
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