Pr3Nd3Ho8
Alexandria ALEXAlex-ID: agm005692323 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_31_spg71
PrNd3Ho4 Pr(NdHo3)2 Pr
2023-06-29 10:44:56.189824
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692323).
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 agm005692323
data_agm005692323
_cell_length_a 5.70648
_cell_length_b 9.78847
_cell_length_c 9.78849
_cell_angle_alpha 102.76662
_cell_angle_beta 73.01827
_cell_angle_gamma 73.01822
_cell_volume 471.25095
_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 0.50000 0.00000 0.00000 1.00000
Pr2 Pr 0.00000 0.81203 0.18797 1.00000
Pr3 Pr 1.00000 0.18797 0.81203 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.80314 0.19738 0.19738 1.00000
Nd3 Nd 0.19686 0.80262 0.80262 1.00000
Ho1 Ho 0.66187 0.11835 0.55794 1.00000
Ho2 Ho 0.33813 0.88165 0.44206 1.00000
Ho3 Ho 0.66187 0.55794 0.11835 1.00000
Ho4 Ho 0.33813 0.44206 0.88165 1.00000
Ho5 Ho 0.84025 0.76210 0.55754 1.00000
Ho6 Ho 0.15975 0.23790 0.44246 1.00000
Ho7 Ho 0.84025 0.55754 0.76210 1.00000
Ho8 Ho 0.15975 0.44246 0.23790 1.00000
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