Er3AlCo
Alexandria ALEXAlex-ID: agm003714909 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_2401_spg38
ErAlCo Er4AlCo
2022-04-15 09:51:29.170304
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003714909).
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 agm003714909
data_agm003714909
_cell_length_a 5.13645
_cell_length_b 7.03395
_cell_length_c 6.74093
_cell_angle_alpha 91.94213
_cell_angle_beta 89.97510
_cell_angle_gamma 89.97715
_cell_volume 243.40655
_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 0.54308 0.97155 0.65250 1.00000
Er2 Er 0.54246 0.35168 0.03240 1.00000
Er3 Er 0.04320 0.16621 0.37526 1.00000
Er4 Er 0.04349 0.67430 0.86519 1.00000
Er5 Er 0.54355 0.48346 0.50864 1.00000
Er6 Er 0.54350 0.86717 0.16061 1.00000
Al1 Al 0.04344 0.73304 0.39101 1.00000
Al2 Al 0.04267 0.18001 0.88019 1.00000
Co1 Co 0.54361 0.66469 0.84011 1.00000
Co2 Co 0.04215 0.45115 0.17094 1.00000
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