Nd2Y3Se4
Alexandria ALEXAlex-ID: agm005688261 · 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
A2B3C4_761_spg12
NdY4Se5 Nd4YSe5 Y
2023-06-28 06:46:42.615135
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688261).
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 agm005688261
data_agm005688261
_cell_length_a 4.05832
_cell_length_b 7.06435
_cell_length_c 9.23146
_cell_angle_alpha 74.60697
_cell_angle_beta 77.30218
_cell_angle_gamma 73.30725
_cell_volume 241.44182
_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 0.59440 0.21737 0.59382 1.00000
Nd2 Nd 0.40560 0.78263 0.40618 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.20246 0.39243 0.20265 1.00000
Y3 Y 0.79754 0.60757 0.79735 1.00000
Se1 Se 0.80431 0.09564 0.29575 1.00000
Se2 Se 0.19569 0.90436 0.70425 1.00000
Se3 Se 0.39463 0.30423 0.90652 1.00000
Se4 Se 0.60537 0.69577 0.09348 1.00000
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