DyGaC
Alexandria ALEXAlex-ID: agm005681132 · 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
ABC_327_spg12
Dy3Ga5 Dy3C4 C
2023-06-17 02:45:41.381544
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681132).
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 agm005681132
data_agm005681132
_cell_length_a 3.94032
_cell_length_b 4.22129
_cell_length_c 7.49201
_cell_angle_alpha 104.92233
_cell_angle_beta 90.00000
_cell_angle_gamma 117.82160
_cell_volume 105.43630
_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 0.08554 0.17108 0.80934 1.00000
Dy2 Dy 0.91446 0.82892 0.19066 1.00000
Ga1 Ga 0.33205 0.66410 0.47369 1.00000
Ga2 Ga 0.66795 0.33590 0.52631 1.00000
C1 C 0.59119 0.18239 0.04073 1.00000
C2 C 0.40881 0.81761 0.95927 1.00000
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