Dy3(MgCd)4
Alexandria ALEXAlex-ID: agm005695089 · 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
A3B4C4_25_spg71
DyMgCd Dy2(MgCd)3
2023-07-02 00:59:29.635044
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695089).
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 agm005695089
data_agm005695089
_cell_length_a 3.42913
_cell_length_b 5.00813
_cell_length_c 15.92413
_cell_angle_alpha 80.90498
_cell_angle_beta 83.78014
_cell_angle_gamma 90.01809
_cell_volume 268.40297
_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
Dy1 Dy 0.13879 0.64091 0.71887 1.00000
Dy2 Dy 0.86123 0.35911 0.28113 1.00000
Dy3 Dy 0.00001 0.00001 1.00000 1.00000
Mg1 Mg 0.58836 0.09227 0.81564 1.00000
Mg2 Mg 0.26435 0.26401 0.47178 1.00000
Mg3 Mg 0.73567 0.73602 0.52823 1.00000
Mg4 Mg 0.41166 0.90776 0.18436 1.00000
Cd1 Cd 0.54676 0.54716 0.90573 1.00000
Cd2 Cd 0.45327 0.45287 0.09427 1.00000
Cd3 Cd 0.31746 0.81602 0.36725 1.00000
Cd4 Cd 0.68256 0.18400 0.63275 1.00000
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