LaNd3(ThBi3)2
Alexandria ALEXAlex-ID: agm024962417 · 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_1_spg12
La3Nd(ThBi3)2 Nd2ThBi3
2024-12-05 09:53:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024962417).
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 agm024962417
data_agm024962417
_cell_length_a 8.01503
_cell_length_b 8.01503
_cell_length_c 7.98276
_cell_angle_alpha 80.37795
_cell_angle_beta 99.62205
_cell_angle_gamma 59.93756
_cell_volume 418.24957
_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 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.16493 0.16493 0.50000 1.00000
Nd2 Nd 0.83507 0.83507 0.50000 1.00000
Nd3 Nd 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.33286 0.33286 0.00000 1.00000
Th2 Th 0.66714 0.66714 0.00000 1.00000
Bi1 Bi 0.42053 0.91617 0.25082 1.00000
Bi2 Bi 0.25392 0.74608 0.75043 1.00000
Bi3 Bi 0.57947 0.08383 0.74918 1.00000
Bi4 Bi 0.08383 0.57947 0.25082 1.00000
Bi5 Bi 0.74608 0.25392 0.24957 1.00000
Bi6 Bi 0.91617 0.42053 0.74918 1.00000
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