Pm3(NdRh2)2
Alexandria ALEXAlex-ID: agm003336331 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_315_spg64
Pm3(NdRh2)2
2022-01-30 02:16:48.044935
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003336331).
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 agm003336331
data_agm003336331
_cell_length_a 6.62423
_cell_length_b 8.10755
_cell_length_c 8.84479
_cell_angle_alpha 90.00000
_cell_angle_beta 111.99162
_cell_angle_gamma 90.00000
_cell_volume 440.45791
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.50000 0.50000 0.00000 1.00000
Pm3 Pm 0.53695 0.75000 0.57390 1.00000
Pm4 Pm 0.96305 0.25000 0.42610 1.00000
Pm5 Pm 0.46305 0.25000 0.42610 1.00000
Pm6 Pm 0.03695 0.75000 0.57390 1.00000
Nd1 Nd 0.10037 0.60223 0.20074 1.00000
Nd2 Nd 0.89963 0.39777 0.79926 1.00000
Nd3 Nd 0.39963 0.10223 0.79926 1.00000
Nd4 Nd 0.60037 0.89777 0.20074 1.00000
Rh1 Rh 0.70698 0.75000 0.91396 1.00000
Rh2 Rh 0.79302 0.25000 0.08604 1.00000
Rh3 Rh 0.29302 0.25000 0.08604 1.00000
Rh4 Rh 0.20698 0.75000 0.91396 1.00000
Rh5 Rh 0.18127 0.93982 0.36253 1.00000
Rh6 Rh 0.81873 0.06018 0.63747 1.00000
Rh7 Rh 0.31873 0.43982 0.63747 1.00000
Rh8 Rh 0.68127 0.56018 0.36253 1.00000
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