LaDy2ThSc4
Alexandria ALEXAlex-ID: agm004862864 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_268_spg115
La5Dy LaDy4 DyTh Sc
2023-01-29 01:42:53.063627
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004862864).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm004862864
data_agm004862864
_cell_length_a 5.05087
_cell_length_b 5.05354
_cell_length_c 10.27437
_cell_angle_alpha 60.54794
_cell_angle_beta 89.99976
_cell_angle_gamma 89.99976
_cell_volume 228.35940
_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
La1 La 0.50000 0.50000 1.00000 1.00000
Dy1 Dy 0.00000 0.00000 1.00000 1.00000
Dy2 Dy 0.50000 0.00000 0.50000 1.00000
Th1 Th 0.00000 0.49999 0.50000 1.00000
Sc1 Sc 0.00000 0.75553 0.74463 1.00000
Sc2 Sc 1.00000 0.24447 0.25537 1.00000
Sc3 Sc 0.50000 0.74529 0.25499 1.00000
Sc4 Sc 0.50000 0.25471 0.74501 1.00000
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