Nd6SnSb5
Alexandria ALEXAlex-ID: agm006122000 · 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
AB5C6_83_spg12
NdSn NdSb
2023-09-08 14:07:39.825375
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006122000).
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 agm006122000
data_agm006122000
_cell_length_a 7.82128
_cell_length_b 7.84111
_cell_length_c 7.84448
_cell_angle_alpha 60.01419
_cell_angle_beta 80.37345
_cell_angle_gamma 70.45210
_cell_volume 392.67196
_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
Sb1 Sb 0.50000 0.16701 0.66597 1.00000
Sb2 Sb 1.00000 0.33364 0.33272 1.00000
Sb3 Sb 0.50000 0.50000 0.00000 1.00000
Sb4 Sb 0.00000 0.66636 0.66728 1.00000
Sb5 Sb 0.50000 0.83299 0.33403 1.00000
Nd1 Nd 0.74999 0.08318 0.33548 1.00000
Nd2 Nd 0.25001 0.58134 0.33548 1.00000
Nd3 Nd 0.25102 0.25159 1.00000 1.00000
Nd4 Nd 0.74898 0.74841 0.00000 1.00000
Nd5 Nd 0.74999 0.41866 0.66452 1.00000
Nd6 Nd 0.25001 0.91682 0.66452 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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