Er2Sn4Ru3
Alexandria ALEXAlex-ID: agm034284302 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_99_spg14
Er(Sn3Ru2)2 Sn7Ru3 ErSnRu
2025-01-29 07:31:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034284302).
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 agm034284302
data_agm034284302
_cell_length_a 7.19454
_cell_length_b 7.43248
_cell_length_c 7.20244
_cell_angle_alpha 90.00000
_cell_angle_beta 107.49604
_cell_angle_gamma 90.00000
_cell_volume 367.32065
_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
Er1 Er 0.46032 0.69564 0.80701 1.00000
Er2 Er 0.03968 0.19564 0.19299 1.00000
Er3 Er 0.53968 0.30436 0.19299 1.00000
Er4 Er 0.96032 0.80436 0.80701 1.00000
Sn1 Sn 0.14530 0.41221 0.87729 1.00000
Sn2 Sn 0.35470 0.91221 0.12271 1.00000
Sn3 Sn 0.85470 0.58779 0.12271 1.00000
Sn4 Sn 0.64530 0.08779 0.87729 1.00000
Sn5 Sn 0.13455 0.84051 0.45126 1.00000
Sn6 Sn 0.36545 0.34051 0.54874 1.00000
Sn7 Sn 0.86545 0.15949 0.54874 1.00000
Sn8 Sn 0.63455 0.65949 0.45126 1.00000
Ru1 Ru 0.00000 0.50000 0.50000 1.00000
Ru2 Ru 0.50000 0.00000 0.50000 1.00000
Ru3 Ru 0.24011 0.07438 0.77180 1.00000
Ru4 Ru 0.25989 0.57438 0.22820 1.00000
Ru5 Ru 0.75989 0.92562 0.22820 1.00000
Ru6 Ru 0.74011 0.42562 0.77180 1.00000
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