Nd2Ho5Tm3
Alexandria ALEXAlex-ID: agm005599342 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_183_spg15
NdHo2 Nd2Ho7 HoTm5
2023-06-25 00:33:18.653501
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005599342).
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 agm005599342
data_agm005599342
_cell_length_a 9.34151
_cell_length_b 9.39351
_cell_length_c 11.07818
_cell_angle_alpha 125.22778
_cell_angle_beta 125.12290
_cell_angle_gamma 68.74218
_cell_volume 648.80710
_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 0.77858 0.01426 0.74709 1.00000
Nd2 Nd 0.22142 0.98574 0.25291 1.00000
Nd3 Nd 0.46852 0.73283 0.74709 1.00000
Nd4 Nd 0.53148 0.26717 0.25291 1.00000
Ho1 Ho 0.27860 0.52860 0.05720 1.00000
Ho2 Ho 0.72140 0.47140 0.94280 1.00000
Ho3 Ho 0.01796 0.76796 0.53592 1.00000
Ho4 Ho 0.52357 0.27357 0.54714 1.00000
Ho5 Ho 0.98204 0.23204 0.46408 1.00000
Ho6 Ho 0.47643 0.72643 0.45286 1.00000
Ho7 Ho 0.87131 0.61429 0.76730 1.00000
Ho8 Ho 0.12869 0.38571 0.23270 1.00000
Ho9 Ho 0.39599 0.15301 0.76730 1.00000
Ho10 Ho 0.60401 0.84699 0.23270 1.00000
Tm1 Tm 0.22601 0.97601 0.95202 1.00000
Tm2 Tm 0.77399 0.02399 0.04798 1.00000
Tm3 Tm 0.72885 0.46197 0.24027 1.00000
Tm4 Tm 0.27115 0.53803 0.75973 1.00000
Tm5 Tm 0.01142 0.77830 0.24027 1.00000
Tm6 Tm 0.98858 0.22170 0.75973 1.00000
