Nd4Dy3Tm2
Alexandria ALEXAlex-ID: agm003333437 · 空间群: Cccm (#66)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_520_spg66
Nd3Dy5 DyTm5 Nd
2022-02-02 02:12:09.094618
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333437).
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 agm003333437
data_agm003333437
_cell_length_a 7.07617
_cell_length_b 9.82087
_cell_length_c 9.82087
_cell_angle_alpha 59.68806
_cell_angle_beta 89.98552
_cell_angle_gamma 89.98552
_cell_volume 589.18987
_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 0.50000 0.84676 0.17706 1.00000
Nd2 Nd 0.00000 0.82294 0.15324 1.00000
Nd3 Nd 0.50000 0.15324 0.82294 1.00000
Nd4 Nd 1.00000 0.17706 0.84676 1.00000
Nd5 Nd 0.00008 0.15503 0.52191 1.00000
Nd6 Nd 0.49992 0.47809 0.84497 1.00000
Nd7 Nd 0.99992 0.84497 0.47809 1.00000
Nd8 Nd 0.50008 0.52191 0.15503 1.00000
Dy1 Dy 0.74953 0.17135 0.17140 1.00000
Dy2 Dy 0.75047 0.82860 0.82865 1.00000
Dy3 Dy 0.25047 0.82865 0.82860 1.00000
Dy4 Dy 0.24953 0.17140 0.17135 1.00000
Dy5 Dy 0.25000 0.50014 0.49986 1.00000
Dy6 Dy 0.75000 0.49986 0.50014 1.00000
Tm1 Tm 0.49991 0.17647 0.47913 1.00000
Tm2 Tm 0.00009 0.52087 0.82353 1.00000
Tm3 Tm 0.50009 0.82353 0.52087 1.00000
Tm4 Tm 0.99991 0.47913 0.17647 1.00000
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