Nd2Y12Tm
Alexandria ALEXAlex-ID: agm005772159 · 空间群: Cmme (#67)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C12_71_spg67
Nd2Y7 Y5Tm
2023-07-20 09:31:32.862499
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772159).
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 agm005772159
data_agm005772159
_cell_length_a 6.71326
_cell_length_b 6.71326
_cell_length_c 24.86023
_cell_angle_alpha 89.99974
_cell_angle_beta 90.00025
_cell_angle_gamma 63.69427
_cell_volume 1004.37132
_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 0.50000 0.00000 0.26921 1.00000
Nd2 Nd 1.00000 0.50000 0.26432 1.00000
Nd3 Nd 0.00000 0.50000 0.73079 1.00000
Nd4 Nd 0.50000 1.00000 0.73568 1.00000
Y1 Y 0.50000 0.50000 0.80240 1.00000
Y2 Y 1.00000 0.00000 0.80240 1.00000
Y3 Y 0.75044 0.74956 0.87484 1.00000
Y4 Y 0.25028 0.75028 0.92439 1.00000
Y5 Y 1.00000 0.00000 0.32700 1.00000
Y6 Y 0.24972 0.74972 0.07561 1.00000
Y7 Y 0.76464 0.26465 0.56077 1.00000
Y8 Y 0.50000 0.50000 0.32700 1.00000
Y9 Y 0.24956 0.25044 0.87484 1.00000
Y10 Y 0.74956 0.75044 0.12516 1.00000
Y11 Y 0.26147 0.23853 0.58483 1.00000
Y12 Y 0.73536 0.23535 0.43923 1.00000
Y13 Y 0.00000 1.00000 0.67300 1.00000
Y14 Y 0.23853 0.26147 0.41517 1.00000
Y15 Y 0.25044 0.24956 0.12516 1.00000
Y16 Y 0.76147 0.73853 0.41517 1.00000
Y17 Y 0.73853 0.76147 0.58483 1.00000
Y18 Y 0.00000 1.00000 0.19760 1.00000
Y19 Y 0.23535 0.73536 0.56077 1.00000
Y20 Y 0.50000 0.50000 0.67300 1.00000
Y21 Y 0.74972 0.24972 0.92439 1.00000
Y22 Y 0.50000 0.50000 0.19760 1.00000
Y23 Y 0.26465 0.76464 0.43923 1.00000
Y24 Y 0.75028 0.25028 0.07561 1.00000
Tm1 Tm 0.50000 0.00000 0.00004 1.00000
Tm2 Tm 0.00000 0.50000 0.99996 1.00000
