YEr3Fe2
Alexandria ALEXAlex-ID: agm014684458 · 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
AB2C3_1134_spg12
Er3Fe Y5Er ErFe2
2025-04-15 05:53:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014684458).
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 agm014684458
data_agm014684458
_cell_length_a 3.62990
_cell_length_b 8.33329
_cell_length_c 10.35751
_cell_angle_alpha 74.53185
_cell_angle_beta 79.90950
_cell_angle_gamma 77.45262
_cell_volume 292.44564
_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
Y1 Y 0.84648 0.57035 0.73664 1.00000
Y2 Y 0.15352 0.42965 0.26336 1.00000
Er1 Er 0.15494 0.92889 0.76134 1.00000
Er2 Er 0.84506 0.07111 0.23866 1.00000
Er3 Er 0.42186 0.22290 0.93246 1.00000
Er4 Er 0.57814 0.77710 0.06754 1.00000
Er5 Er 0.57817 0.27405 0.57031 1.00000
Er6 Er 0.42183 0.72595 0.42969 1.00000
Fe1 Fe 0.23396 0.57549 0.95700 1.00000
Fe2 Fe 0.76604 0.42451 0.04300 1.00000
Fe3 Fe 0.76554 0.92551 0.54303 1.00000
Fe4 Fe 0.23446 0.07449 0.45697 1.00000
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