Nd3(ZnGa)2
Alexandria ALEXAlex-ID: agm010013428 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_33_spg71
NdZn2 NdGa
2024-04-06 15:00:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010013428).
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}
}
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# CIF generated by HEAS from Alexandria entry agm010013428
data_agm010013428
_cell_length_a 10.27523
_cell_length_b 10.27523
_cell_length_c 10.27523
_cell_angle_alpha 158.30392
_cell_angle_beta 154.88620
_cell_angle_gamma 33.42324
_cell_volume 170.05970
_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 0.00000 0.50000 0.50000 1.00000
Nd2 Nd 0.30963 0.30963 0.00000 1.00000
Nd3 Nd 0.69037 0.69037 0.00000 1.00000
Zn1 Zn 0.43568 0.93568 0.50000 1.00000
Zn2 Zn 0.56432 0.06432 0.50000 1.00000
Ga1 Ga 0.86221 0.86221 0.00000 1.00000
Ga2 Ga 0.13779 0.13779 0.00000 1.00000
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