LaTb3(NdSb3)2
Alexandria ALEXAlex-ID: agm026229366 · 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_201_spg12
La5NdSb6 LaNd3Sb4 TbSb
2025-02-06 11:44:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026229366).
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 agm026229366
data_agm026229366
_cell_length_a 10.02411
_cell_length_b 10.02411
_cell_length_c 8.96172
_cell_angle_alpha 76.98806
_cell_angle_beta 103.01194
_cell_angle_gamma 154.16187
_cell_volume 381.84948
_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 0.50000 0.50000 0.50000 1.00000
Tb1 Tb 0.50000 0.50000 0.00000 1.00000
Tb2 Tb 0.83136 0.16864 0.16519 1.00000
Tb3 Tb 0.16864 0.83136 0.83481 1.00000
Nd1 Nd 0.16491 0.83509 0.33093 1.00000
Nd2 Nd 0.83509 0.16491 0.66907 1.00000
Sb1 Sb 0.33140 0.66860 0.41063 1.00000
Sb2 Sb 0.33378 0.66622 0.92265 1.00000
Sb3 Sb 0.66860 0.33140 0.58937 1.00000
Sb4 Sb 0.00321 0.99679 0.76020 1.00000
Sb5 Sb 0.99679 0.00321 0.23980 1.00000
Sb6 Sb 0.66622 0.33378 0.07735 1.00000
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