Sm2Tm5Np2
Alexandria ALEXAlex-ID: agm009745784 · 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_442_spg12
Sm2Tm7 SmTm2 Np
2024-04-06 15:02:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009745784).
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 agm009745784
data_agm009745784
_cell_length_a 3.59294
_cell_length_b 6.17792
_cell_length_c 12.47534
_cell_angle_alpha 91.16015
_cell_angle_beta 98.29276
_cell_angle_gamma 106.88995
_cell_volume 261.63323
_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
Sm1 Sm 0.20442 0.52958 0.87863 1.00000
Sm2 Sm 0.79558 0.47042 0.12137 1.00000
Tm1 Tm 0.38179 0.40306 0.36062 1.00000
Tm2 Tm 0.61821 0.59694 0.63938 1.00000
Tm3 Tm 0.59313 0.93803 0.24835 1.00000
Tm4 Tm 0.40687 0.06197 0.75165 1.00000
Tm5 Tm 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.82593 0.12487 0.52708 1.00000
Np2 Np 0.17407 0.87513 0.47292 1.00000
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