Nd5Ho5Tm2
Alexandria ALEXAlex-ID: agm005649217 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_18_spg12
NdHo2 HoTm5 Nd
2023-06-19 03:56:42.884375
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649217).
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 agm005649217
data_agm005649217
_cell_length_a 5.06270
_cell_length_b 10.74044
_cell_length_c 8.02150
_cell_angle_alpha 98.63622
_cell_angle_beta 71.60474
_cell_angle_gamma 76.36806
_cell_volume 390.12165
_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 0.66601 0.25219 0.41579 1.00000
Nd2 Nd 0.99751 0.25173 0.75326 1.00000
Nd3 Nd 0.00249 0.74827 0.24674 1.00000
Nd4 Nd 0.33399 0.74781 0.58421 1.00000
Nd5 Nd 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.00000 0.50000 0.50000 1.00000
Ho2 Ho 0.66860 0.74665 0.91615 1.00000
Ho3 Ho 0.33287 0.00015 0.33411 1.00000
Ho4 Ho 0.66713 0.99985 0.66589 1.00000
Ho5 Ho 0.33140 0.25335 0.08385 1.00000
Tm1 Tm 0.33230 0.50072 0.83469 1.00000
Tm2 Tm 0.66770 0.49928 0.16531 1.00000
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