ErInRu
Alexandria ALEXAlex-ID: agm002236282 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_25_spg12
Er3(In2Ru)2 ErRu2
2023-03-29 17:54:03.830693
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002236282).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm002236282
data_agm002236282
_cell_length_a 4.32494
_cell_length_b 5.13200
_cell_length_c 6.61103
_cell_angle_alpha 101.50049
_cell_angle_beta 109.08912
_cell_angle_gamma 90.00067
_cell_volume 135.54556
_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
Ru1 Ru 0.22098 0.37472 0.43523 1.00000
Ru2 Ru 0.78673 0.62083 0.56800 1.00000
In1 In 0.57778 0.28346 0.14880 1.00000
In2 In 0.42991 0.71200 0.85444 1.00000
Er1 Er 0.87075 0.17513 0.73557 1.00000
Er2 Er 0.13701 0.82041 0.26767 1.00000
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