PrNd2(HoTm)2
Alexandria ALEXAlex-ID: agm004556017 · 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
AB2C2D2_185_spg12
PrNd2 HoTm5 PrNd3Ho4 Pr
2022-06-23 00:48:22.586748
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004556017).
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 agm004556017
data_agm004556017
_cell_length_a 3.49855
_cell_length_b 9.03367
_cell_length_c 8.52655
_cell_angle_alpha 116.76493
_cell_angle_beta 90.00000
_cell_angle_gamma 101.16526
_cell_volume 234.88123
_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
Pr1 Pr 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.57206 0.14413 0.91173 1.00000
Nd2 Nd 0.42794 0.85587 0.08827 1.00000
Ho1 Ho 0.21279 0.42558 0.79608 1.00000
Ho2 Ho 0.78721 0.57442 0.20392 1.00000
Tm1 Tm 0.65119 0.30238 0.39480 1.00000
Tm2 Tm 0.34881 0.69762 0.60520 1.00000
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