La3Sm(Y3Tm)2
Alexandria ALEXAlex-ID: agm004631246 · 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
AB2C3D6_178_spg12
SmTm2 LaY2
2022-06-30 20:49:39.276769
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004631246).
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 agm004631246
data_agm004631246
_cell_length_a 6.25117
_cell_length_b 6.25117
_cell_length_c 11.91230
_cell_angle_alpha 95.01493
_cell_angle_beta 95.01493
_cell_angle_gamma 120.00296
_cell_volume 396.91249
_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
La1 La 0.16690 0.83310 0.50000 1.00000
La2 La 0.83310 0.16690 0.50000 1.00000
La3 La 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.91859 0.58464 0.75562 1.00000
Y2 Y 0.74741 0.74741 0.24461 1.00000
Y3 Y 0.08141 0.41536 0.24438 1.00000
Y4 Y 0.58464 0.91859 0.75562 1.00000
Y5 Y 0.25259 0.25259 0.75539 1.00000
Y6 Y 0.41536 0.08141 0.24438 1.00000
Tm1 Tm 0.33322 0.66678 0.00000 1.00000
Tm2 Tm 0.66678 0.33322 0.00000 1.00000
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