Nd2Ho4Pb5
Alexandria ALEXAlex-ID: agm012279040 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_36_spg72
HoPb Nd2Ho3Pb4
2024-07-11 02:47:54.102011
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012279040).
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 agm012279040
data_agm012279040
_cell_length_a 11.97016
_cell_length_b 11.97016
_cell_length_c 11.97016
_cell_angle_alpha 147.77169
_cell_angle_beta 133.10709
_cell_angle_gamma 58.04224
_cell_volume 662.52043
_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 0.69725 0.94725 0.25000 1.00000
Nd2 Nd 0.30275 0.55275 0.25000 1.00000
Nd3 Nd 0.30275 0.05275 0.75000 1.00000
Nd4 Nd 0.69725 0.44725 0.75000 1.00000
Ho1 Ho 0.67977 0.44227 0.23750 1.00000
Ho2 Ho 0.32023 0.55773 0.76250 1.00000
Ho3 Ho 0.79523 0.05773 0.73750 1.00000
Ho4 Ho 0.20477 0.94227 0.26250 1.00000
Ho5 Ho 0.24933 0.13420 0.11513 1.00000
Ho6 Ho 0.75067 0.86580 0.88487 1.00000
Ho7 Ho 0.98094 0.36580 0.61513 1.00000
Ho8 Ho 0.01906 0.63420 0.38487 1.00000
Pb1 Pb 0.00000 0.25000 0.25000 1.00000
Pb2 Pb 0.00000 0.75000 0.75000 1.00000
Pb3 Pb 0.47844 0.07202 0.40642 1.00000
Pb4 Pb 0.52156 0.92798 0.59358 1.00000
Pb5 Pb 0.33440 0.42798 0.90642 1.00000
Pb6 Pb 0.66560 0.57202 0.09358 1.00000
Pb7 Pb 0.60857 0.29963 0.30894 1.00000
Pb8 Pb 0.39143 0.70037 0.69106 1.00000
Pb9 Pb 0.99070 0.79963 0.19106 1.00000
Pb10 Pb 0.00930 0.20037 0.80894 1.00000
