Pr4Nd3Tm5
Alexandria ALEXAlex-ID: agm005697376 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_119_spg2
PrNd2 NdTm2 Pr
2023-06-29 13:02:30.233956
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697376).
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 agm005697376
data_agm005697376
_cell_length_a 7.20950
_cell_length_b 9.56369
_cell_length_c 13.05869
_cell_angle_alpha 137.37282
_cell_angle_beta 56.14020
_cell_angle_gamma 139.09557
_cell_volume 399.27352
_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 0.08346 0.16923 0.83428 1.00000
Pr2 Pr 0.82921 0.66249 0.83322 1.00000
Pr3 Pr 0.17079 0.33751 0.16678 1.00000
Pr4 Pr 0.91654 0.83077 0.16572 1.00000
Nd1 Nd 0.74463 0.49524 0.49878 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.25537 0.50476 0.50122 1.00000
Tm1 Tm 0.33520 0.67102 0.83534 1.00000
Tm2 Tm 0.50000 0.00000 0.50000 1.00000
Tm3 Tm 0.58439 0.16529 0.83379 1.00000
Tm4 Tm 0.41561 0.83471 0.16621 1.00000
Tm5 Tm 0.66480 0.32898 0.16466 1.00000
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