Nd2Dy2Ga2O
Alexandria ALEXAlex-ID: agm024505596 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_132_spg139
Nd5Ga3 Nd2Dy3Ga4 Dy2O3 Nd
2025-05-25 23:45:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024505596).
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 agm024505596
data_agm024505596
_cell_length_a 8.66834
_cell_length_b 8.66834
_cell_length_c 8.66834
_cell_angle_alpha 149.19318
_cell_angle_beta 149.19318
_cell_angle_gamma 44.12703
_cell_volume 170.34864
_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 0.17452 0.17452 0.00000 1.00000
Nd2 Nd 0.82548 0.82548 0.00000 1.00000
Dy1 Dy 0.50000 0.00000 0.50000 1.00000
Dy2 Dy 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.36832 0.36832 0.00000 1.00000
Ga2 Ga 0.63168 0.63168 0.00000 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
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