La3Ho4NpSb8
Alexandria ALEXAlex-ID: agm045487572 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_63_spg12
Np4Sb5 Np2Sb HoSb LaSb
2025-01-30 13:44:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045487572).
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 agm045487572
data_agm045487572
_cell_length_a 8.93726
_cell_length_b 8.93726
_cell_length_c 8.93726
_cell_angle_alpha 60.12436
_cell_angle_beta 60.12436
_cell_angle_gamma 60.12436
_cell_volume 506.19682
_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 0.00000 0.50000 1.00000
La2 La 0.00000 0.50000 0.50000 1.00000
La3 La 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.00000 0.00000 0.50000 1.00000
Ho3 Ho 0.00000 0.50000 0.00000 1.00000
Ho4 Ho 0.50000 0.00000 0.00000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.75940 0.25050 0.25050 1.00000
Sb2 Sb 0.25050 0.75940 0.25050 1.00000
Sb3 Sb 0.24516 0.24516 0.24516 1.00000
Sb4 Sb 0.25050 0.25050 0.75940 1.00000
Sb5 Sb 0.74950 0.74950 0.24060 1.00000
Sb6 Sb 0.75484 0.75484 0.75484 1.00000
Sb7 Sb 0.74950 0.24060 0.74950 1.00000
Sb8 Sb 0.24060 0.74950 0.74950 1.00000
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