La4Mg2Cd
Alexandria ALEXAlex-ID: agm005991612 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_28_spg97
La2MgCd La6Mg5Cd La
2023-10-13 18:31:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991612).
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 agm005991612
data_agm005991612
_cell_length_a 6.77760
_cell_length_b 6.77760
_cell_length_c 6.77760
_cell_angle_alpha 110.42841
_cell_angle_beta 108.99476
_cell_angle_gamma 108.99476
_cell_volume 239.61515
_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 0.00000 0.00000 1.00000
La2 La 0.50000 0.50000 0.50000 1.00000
La3 La 0.00000 0.00000 0.50000 1.00000
La4 La 0.00000 0.50000 0.00000 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
Mg2 Mg 0.50000 0.00000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
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