LaNdY5Tm2
Alexandria ALEXAlex-ID: agm005146256 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_252_spg36
NdY2 LaY2 YTm2
2023-01-19 18:33:19.095264
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146256).
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 agm005146256
data_agm005146256
_cell_length_a 5.75376
_cell_length_b 11.14579
_cell_length_c 9.72883
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.95816
_cell_volume 602.76972
_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
La1 La 0.59584 0.19168 0.91776 1.00000
La2 La 0.40416 0.80832 0.41776 1.00000
Nd1 Nd 0.80760 0.61519 0.52261 1.00000
Nd2 Nd 0.19240 0.38481 0.02261 1.00000
Y1 Y 0.39262 0.78524 0.03791 1.00000
Y2 Y 0.73294 0.46588 0.83540 1.00000
Y3 Y 0.47052 0.94104 0.74403 1.00000
Y4 Y 0.30652 0.61304 0.71776 1.00000
Y5 Y 0.98841 0.97682 0.51987 1.00000
Y6 Y 0.60738 0.21476 0.53791 1.00000
Y7 Y 0.26706 0.53412 0.33540 1.00000
Y8 Y 0.52948 0.05896 0.24403 1.00000
Y9 Y 0.69348 0.38696 0.21776 1.00000
Y10 Y 0.01159 0.02318 0.01987 1.00000
Tm1 Tm 0.88729 0.77457 0.82560 1.00000
Tm2 Tm 0.13556 0.27113 0.70303 1.00000
Tm3 Tm 0.11271 0.22543 0.32560 1.00000
Tm4 Tm 0.86444 0.72887 0.20303 1.00000
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