Nd2Ho5Er2
Alexandria ALEXAlex-ID: agm009124671 · 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
A2B2C5_220_spg12
Nd3(Ho2Er)2 HoEr5 Nd2Ho7
2024-12-11 02:59:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009124671).
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 agm009124671
data_agm009124671
_cell_length_a 9.47806
_cell_length_b 9.47806
_cell_length_c 8.82759
_cell_angle_alpha 76.49110
_cell_angle_beta 103.50890
_cell_angle_gamma 158.18497
_cell_volume 286.23285
_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
Nd1 Nd 0.33428 0.66572 0.99959 1.00000
Nd2 Nd 0.66572 0.33428 0.00041 1.00000
Ho1 Ho 0.40784 0.59216 0.66417 1.00000
Ho2 Ho 0.59216 0.40784 0.33583 1.00000
Ho3 Ho 0.25971 0.74029 0.33651 1.00000
Ho4 Ho 0.74029 0.25971 0.66349 1.00000
Ho5 Ho 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.92695 0.07305 0.33638 1.00000
Er2 Er 0.07305 0.92695 0.66362 1.00000
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