La2Sm2ThRh2
Alexandria ALEXAlex-ID: agm017393671 · 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_67_spg12
LaSm2Rh La7Rh3 La3Sm5 ThRh
2025-05-22 12:14:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017393671).
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 agm017393671
data_agm017393671
_cell_length_a 6.61022
_cell_length_b 6.61022
_cell_length_c 9.20089
_cell_angle_alpha 63.48600
_cell_angle_beta 116.51400
_cell_angle_gamma 146.08341
_cell_volume 198.39863
_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 0.65862 0.34138 0.31219 1.00000
La2 La 0.34138 0.65862 0.68781 1.00000
Sm1 Sm 0.87954 0.12046 0.05705 1.00000
Sm2 Sm 0.12046 0.87954 0.94295 1.00000
Th1 Th 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.34603 0.65397 0.27556 1.00000
Rh2 Rh 0.65397 0.34603 0.72444 1.00000
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