Nd3Tm2Tl
Alexandria ALEXAlex-ID: agm003416622 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_679_spg63
NdTm2 Nd5Tl3 Nd
2022-02-13 16:40:35.019425
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003416622).
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 agm003416622
data_agm003416622
_cell_length_a 6.39115
_cell_length_b 7.05097
_cell_length_c 9.19737
_cell_angle_alpha 90.00355
_cell_angle_beta 110.35173
_cell_angle_gamma 89.99998
_cell_volume 388.59554
_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 0.83427 0.25000 0.00010 1.00000
Nd2 Nd 0.16573 0.75000 0.99990 1.00000
Nd3 Nd 0.22459 0.25000 0.37251 1.00000
Nd4 Nd 0.85233 0.25000 0.62749 1.00000
Nd5 Nd 0.14767 0.75000 0.37251 1.00000
Nd6 Nd 0.77541 0.75000 0.62749 1.00000
Tm1 Tm 0.63615 0.50001 0.27254 1.00000
Tm2 Tm 0.63612 0.99994 0.27254 1.00000
Tm3 Tm 0.36388 0.00006 0.72746 1.00000
Tm4 Tm 0.36385 0.49999 0.72746 1.00000
Tl1 Tl 0.68374 0.75000 0.00012 1.00000
Tl2 Tl 0.31626 0.25000 0.99988 1.00000
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