PrNd5Tm12
Alexandria ALEXAlex-ID: agm065971024 · 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
AB5C12_18_spg12
Pr(NdTm3)2 NdTm2
2024-12-04 09:17:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm065971024).
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 agm065971024
data_agm065971024
_cell_length_a 6.20378
_cell_length_b 6.20378
_cell_length_c 17.24173
_cell_angle_alpha 86.57701
_cell_angle_beta 93.42299
_cell_angle_gamma 59.98470
_cell_volume 570.47573
_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 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.16664 0.16664 0.50000 1.00000
Nd3 Nd 0.83336 0.83336 0.50000 1.00000
Nd4 Nd 0.66666 0.66666 0.00000 1.00000
Nd5 Nd 0.33334 0.33334 0.00000 1.00000
Tm1 Tm 0.11044 0.88956 0.33088 1.00000
Tm2 Tm 0.88956 0.11044 0.66912 1.00000
Tm3 Tm 0.39049 0.60951 0.16927 1.00000
Tm4 Tm 0.60951 0.39049 0.83073 1.00000
Tm5 Tm 0.05690 0.27668 0.16927 1.00000
Tm6 Tm 0.27668 0.05690 0.83073 1.00000
Tm7 Tm 0.72332 0.94310 0.16927 1.00000
Tm8 Tm 0.94310 0.72332 0.83073 1.00000
Tm9 Tm 0.22286 0.44383 0.66909 1.00000
Tm10 Tm 0.55617 0.77714 0.66909 1.00000
Tm11 Tm 0.44383 0.22286 0.33091 1.00000
Tm12 Tm 0.77714 0.55617 0.33091 1.00000
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