La2Tb(SmRh)2
Alexandria ALEXAlex-ID: agm016366394 · 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
AB2C2D2_71_spg12
Tb7Rh3 La7Rh3 LaSm2Rh Tb5Rh3
2025-05-22 11:28:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016366394).
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}
}
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# CIF generated by HEAS from Alexandria entry agm016366394
data_agm016366394
_cell_length_a 6.49437
_cell_length_b 6.49437
_cell_length_c 8.62998
_cell_angle_alpha 73.17355
_cell_angle_beta 106.82645
_cell_angle_gamma 145.02529
_cell_volume 198.80044
_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 0.87691 0.12309 0.07401 1.00000
La2 La 0.12309 0.87691 0.92599 1.00000
Tb1 Tb 0.00000 0.00000 0.50000 1.00000
Sm1 Sm 0.67098 0.32902 0.31550 1.00000
Sm2 Sm 0.32902 0.67098 0.68450 1.00000
Rh1 Rh 0.34070 0.65930 0.32327 1.00000
Rh2 Rh 0.65930 0.34070 0.67673 1.00000
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