Ce5Nd3Os
Alexandria ALEXAlex-ID: agm072196158 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1069_spg12
Ce7Os3 Ce Nd
2024-09-23 23:09:00.405213
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072196158).
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 agm072196158
data_agm072196158
_cell_length_a 6.32913
_cell_length_b 6.36116
_cell_length_c 7.70676
_cell_angle_alpha 103.18890
_cell_angle_beta 103.53446
_cell_angle_gamma 111.21581
_cell_volume 263.93137
_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
Ce1 Ce 0.15763 0.59301 0.00657 1.00000
Ce2 Ce 0.81331 0.81180 0.27841 1.00000
Ce3 Ce 0.02307 0.02764 0.70346 1.00000
Ce4 Ce 0.57312 0.56941 0.77263 1.00000
Ce5 Ce 0.40127 0.44140 0.26129 1.00000
Nd1 Nd 0.60218 0.13138 0.99151 1.00000
Nd2 Nd 0.42855 0.00184 0.46862 1.00000
Nd3 Nd 0.99147 0.44169 0.48673 1.00000
Os1 Os 0.00935 0.98173 0.03069 1.00000
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