Er(Al2Sn3)2
Alexandria ALEXAlex-ID: agm002249062 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_73_spg8
Er2Sn5 Sn Al
2023-03-27 15:14:18.650867
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002249062).
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 agm002249062
data_agm002249062
_cell_length_a 6.05059
_cell_length_b 6.05056
_cell_length_c 8.54928
_cell_angle_alpha 109.89300
_cell_angle_beta 109.89684
_cell_angle_gamma 90.26701
_cell_volume 274.16009
_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
Al1 Al 0.59060 0.13462 0.71593 1.00000
Al2 Al 0.41099 0.41097 0.28456 1.00000
Al3 Al 0.13456 0.59064 0.71591 1.00000
Al4 Al 0.86270 0.86265 0.28370 1.00000
Sn1 Sn 0.41007 0.92050 0.34167 1.00000
Sn2 Sn 0.92049 0.41000 0.34165 1.00000
Sn3 Sn 0.07896 0.07902 0.65707 1.00000
Sn4 Sn 0.50013 0.00221 0.00012 1.00000
Sn5 Sn 0.58915 0.58917 0.65980 1.00000
Sn6 Sn 0.00228 0.50014 0.00015 1.00000
Er1 Er 0.99984 0.99985 0.99979 1.00000
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