Er4Mg5In
Alexandria ALEXAlex-ID: agm006129403 · 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
AB4C5_203_spg12
Er4Mg3In ErMg3 ErMgIn
2023-10-11 10:18:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129403).
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
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# CIF generated by HEAS from Alexandria entry agm006129403
data_agm006129403
_cell_length_a 5.23173
_cell_length_b 6.50356
_cell_length_c 8.24566
_cell_angle_alpha 104.43437
_cell_angle_beta 108.49618
_cell_angle_gamma 89.99999
_cell_volume 256.70962
_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 0.69620 0.30553 0.39240 1.00000
Er2 Er 0.09918 0.89621 0.19836 1.00000
Er3 Er 0.30380 0.69447 0.60760 1.00000
Er4 Er 0.90082 0.10379 0.80164 1.00000
Mg1 Mg 0.30037 0.19935 0.60074 1.00000
Mg2 Mg 0.09811 0.41218 0.19622 1.00000
Mg3 Mg 0.90189 0.58782 0.80378 1.00000
Mg4 Mg 0.50000 0.50000 0.00000 1.00000
Mg5 Mg 0.69963 0.80065 0.39926 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
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