Pr2Nd3Se4
Alexandria ALEXAlex-ID: agm005688781 · 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
Pr4NdSe5 PrNd4Se5 Nd
2023-06-28 06:36:22.024796
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688781).
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 agm005688781
data_agm005688781
_cell_length_a 4.20568
_cell_length_b 7.29735
_cell_length_c 9.37504
_cell_angle_alpha 74.54502
_cell_angle_beta 77.03815
_cell_angle_gamma 73.25187
_cell_volume 262.14163
_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 0.59759 0.20507 0.59976 1.00000
Pr2 Pr 0.40241 0.79493 0.40024 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.20279 0.39264 0.20177 1.00000
Nd3 Nd 0.79721 0.60736 0.79823 1.00000
Se1 Se 0.80153 0.09454 0.30240 1.00000
Se2 Se 0.19847 0.90546 0.69760 1.00000
Se3 Se 0.39725 0.30397 0.90153 1.00000
Se4 Se 0.60275 0.69603 0.09847 1.00000
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