YAlIn
Alexandria ALEXAlex-ID: agm005690979 · 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
ABC_2306_spg44
YIn3 Y3In5 YAl2
2023-06-16 21:12:52.264902
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690979).
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 agm005690979
data_agm005690979
_cell_length_a 5.08902
_cell_length_b 6.09304
_cell_length_c 6.09304
_cell_angle_alpha 87.14561
_cell_angle_beta 65.31598
_cell_angle_gamma 65.31597
_cell_volume 154.19393
_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 0.24754 0.16319 0.34173 1.00000
Y2 Y 0.75246 0.65827 0.83681 1.00000
Al1 Al 0.18661 0.56568 0.06109 1.00000
Al2 Al 0.81339 0.93891 0.43432 1.00000
In1 In 0.00000 0.08366 0.91634 1.00000
In2 In 0.50000 0.55572 0.44428 1.00000
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