La3Nd7Tm
Alexandria ALEXAlex-ID: agm005975615 · 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
AB3C7_118_spg12
NdTm2 La3Nd5 Nd
2023-08-11 23:58:54.430110
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005975615).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005975615
data_agm005975615
_cell_length_a 6.56759
_cell_length_b 7.87956
_cell_length_c 7.87957
_cell_angle_alpha 82.20249
_cell_angle_beta 87.01064
_cell_angle_gamma 87.01069
_cell_volume 403.02637
_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 1.00000 0.82553 0.17447 1.00000
La2 La 0.50000 0.00000 0.00000 1.00000
La3 La 0.00000 0.17447 0.82553 1.00000
Nd1 Nd 0.78598 0.23992 0.23992 1.00000
Nd2 Nd 0.73765 0.91049 0.56792 1.00000
Nd3 Nd 0.26235 0.43208 0.08951 1.00000
Nd4 Nd 0.73765 0.56792 0.91049 1.00000
Nd5 Nd 0.00000 0.50000 0.50000 1.00000
Nd6 Nd 0.26235 0.08951 0.43208 1.00000
Nd7 Nd 0.21402 0.76008 0.76008 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
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