Nd6Co2Sb
Alexandria ALEXAlex-ID: agm005808596 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_798_spg71
Nd5CoSb2 Nd5Co2 NdCo
2023-07-06 21:48:39.227796
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808596).
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 agm005808596
data_agm005808596
_cell_length_a 8.68743
_cell_length_b 8.68743
_cell_length_c 8.68743
_cell_angle_alpha 106.96466
_cell_angle_beta 112.90405
_cell_angle_gamma 108.60422
_cell_volume 503.25720
_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
Nd1 Nd 0.53113 0.81606 0.71507 1.00000
Nd2 Nd 0.46887 0.18394 0.28493 1.00000
Nd3 Nd 0.10100 0.81606 0.28493 1.00000
Nd4 Nd 0.89900 0.18394 0.71507 1.00000
Nd5 Nd 0.79623 0.02934 0.23310 1.00000
Nd6 Nd 0.20377 0.97066 0.76690 1.00000
Nd7 Nd 0.20377 0.43687 0.23310 1.00000
Nd8 Nd 0.79623 0.56313 0.76690 1.00000
Nd9 Nd 0.68380 0.32395 0.00776 1.00000
Nd10 Nd 0.31620 0.67605 0.99224 1.00000
Nd11 Nd 0.31620 0.32395 0.64015 1.00000
Nd12 Nd 0.68380 0.67605 0.35985 1.00000
Co1 Co 0.50000 0.10848 0.60848 1.00000
Co2 Co 0.50000 0.89152 0.39152 1.00000
Co3 Co 0.64970 0.64970 0.00000 1.00000
Co4 Co 0.35030 0.35030 1.00000 1.00000
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Sb2 Sb 0.00000 0.00000 0.00000 1.00000
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