Ce2Dy(MgAu2)3
Alexandria ALEXAlex-ID: agm050421469 · 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
AB2C3D6_208_spg12
DyMgAu2 CeMgAu2
2025-01-15 02:45:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050421469).
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 agm050421469
data_agm050421469
_cell_length_a 8.63837
_cell_length_b 8.63837
_cell_length_c 8.63837
_cell_angle_alpha 146.71666
_cell_angle_beta 131.82336
_cell_angle_gamma 59.81436
_cell_volume 261.24963
_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
Ce1 Ce 0.16596 0.66596 0.50000 1.00000
Ce2 Ce 0.83404 0.33404 0.50000 1.00000
Dy1 Dy 0.50000 0.00000 0.50000 1.00000
Mg1 Mg 0.33282 0.33282 0.00000 1.00000
Mg2 Mg 0.66718 0.66718 0.00000 1.00000
Mg3 Mg 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.09388 0.83619 0.25769 1.00000
Au2 Au 0.25821 0.50000 0.75821 1.00000
Au3 Au 0.90612 0.16381 0.74231 1.00000
Au4 Au 0.42150 0.16381 0.25769 1.00000
Au5 Au 0.74179 0.50000 0.24179 1.00000
Au6 Au 0.57850 0.83619 0.74231 1.00000
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