La7Cd2Ru3
Alexandria ALEXAlex-ID: agm101124154 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_1016_spg1
La7Ru3 La2CdRu La3Cd3Ru
2025-05-17 13:41:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101124154).
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 agm101124154
data_agm101124154
_cell_length_a 6.08700
_cell_length_b 6.85380
_cell_length_c 9.66746
_cell_angle_alpha 89.59502
_cell_angle_beta 107.17704
_cell_angle_gamma 114.61808
_cell_volume 347.16765
_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 0.10904 0.82191 0.45041 1.00000
La2 La 0.67396 0.53564 0.10384 1.00000
La3 La 0.59184 0.98897 0.25151 1.00000
La4 La 0.25220 0.39580 0.32560 1.00000
La5 La 0.54548 0.66953 0.74058 1.00000
La6 La 0.75718 0.28885 0.62446 1.00000
La7 La 0.21022 0.06825 0.82793 1.00000
Cd1 Cd 0.82463 0.14736 0.97938 1.00000
Cd2 Cd 0.13169 0.60464 0.95699 1.00000
Ru1 Ru 0.04495 0.88630 0.14480 1.00000
Ru2 Ru 0.18211 0.23110 0.57040 1.00000
Ru3 Ru 0.67670 0.86164 0.52409 1.00000
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