Nd2Tm(URu2)3
Alexandria ALEXAlex-ID: agm048628130 · 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
AB2C3D6_1_spg12
U4Ru3 Nd2URu3 Tm2URu3 URu2
2024-11-13 13:56:42.606509
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048628130).
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
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# CIF generated by HEAS from Alexandria entry agm048628130
data_agm048628130
_cell_length_a 7.62611
_cell_length_b 7.62611
_cell_length_c 5.80527
_cell_angle_alpha 77.36034
_cell_angle_beta 77.36034
_cell_angle_gamma 120.01999
_cell_volume 262.82947
_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 0.66654 0.33346 0.00000 1.00000
Nd2 Nd 0.33346 0.66654 0.00000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
U1 U 0.83382 0.16618 0.50000 1.00000
U2 U 0.16618 0.83382 0.50000 1.00000
U3 U 0.50000 0.50000 0.50000 1.00000
Ru1 Ru 0.54226 0.87445 0.37666 1.00000
Ru2 Ru 0.79580 0.79580 0.61505 1.00000
Ru3 Ru 0.45774 0.12555 0.62334 1.00000
Ru4 Ru 0.87445 0.54226 0.37666 1.00000
Ru5 Ru 0.20420 0.20420 0.38495 1.00000
Ru6 Ru 0.12555 0.45774 0.62334 1.00000
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