Y2Er4Zn
Alexandria ALEXAlex-ID: agm017453035 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_937_spg65
YErZn YEr5 Y2Zn
2025-04-20 04:44:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017453035).
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 agm017453035
data_agm017453035
_cell_length_a 16.29344
_cell_length_b 16.29344
_cell_length_c 16.29344
_cell_angle_alpha 167.54374
_cell_angle_beta 167.54374
_cell_angle_gamma 17.65086
_cell_volume 201.22614
_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 0.20996 0.20996 0.00000 1.00000
Y2 Y 0.79004 0.79004 0.00000 1.00000
Er1 Er 0.05469 0.05469 0.00000 1.00000
Er2 Er 0.94531 0.94531 0.00000 1.00000
Er3 Er 0.36708 0.36708 0.00000 1.00000
Er4 Er 0.63292 0.63292 0.00000 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
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