PrNd2(TlHg)2
Alexandria ALEXAlex-ID: agm004553802 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_16_spg166
Pr3Tl5 PrNd3Hg4 Nd3Hg4 PrNd3Tl4
2022-06-23 00:28:36.063158
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004553802).
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 agm004553802
data_agm004553802
_cell_length_a 5.06021
_cell_length_b 5.06021
_cell_length_c 9.64217
_cell_angle_alpha 74.78747
_cell_angle_beta 74.78747
_cell_angle_gamma 60.00000
_cell_volume 203.76631
_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 0.00000 1.00000
Nd1 Nd 0.13405 0.13405 0.59786 1.00000
Nd2 Nd 0.86595 0.86595 0.40214 1.00000
Tl1 Tl 0.72745 0.72745 0.81764 1.00000
Tl2 Tl 0.27255 0.27255 0.18236 1.00000
Hg1 Hg 0.56855 0.56855 0.29436 1.00000
Hg2 Hg 0.43145 0.43145 0.70564 1.00000
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