Nd2Sm2Tm3
Alexandria ALEXAlex-ID: agm010047740 · 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
A2B2C3_23_spg12
NdSmTm4 Nd6SmTm2 Sm
2025-05-24 21:12:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010047740).
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 agm010047740
data_agm010047740
_cell_length_a 6.17966
_cell_length_b 6.17966
_cell_length_c 8.02948
_cell_angle_alpha 82.56262
_cell_angle_beta 97.43738
_cell_angle_gamma 131.45679
_cell_volume 227.47806
_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 0.28607 0.71393 0.35866 1.00000
Nd2 Nd 0.71393 0.28607 0.64134 1.00000
Sm1 Sm 0.85770 0.14230 0.07402 1.00000
Sm2 Sm 0.14230 0.85770 0.92598 1.00000
Tm1 Tm 0.00000 0.00000 0.50000 1.00000
Tm2 Tm 0.42894 0.57106 0.78774 1.00000
Tm3 Tm 0.57106 0.42894 0.21226 1.00000
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