La4HgIr2
Alexandria ALEXAlex-ID: agm096141111 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_111_spg111
La4HgIr2
2025-04-10 21:17:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096141111).
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 agm096141111
data_agm096141111
_cell_length_a 4.29258
_cell_length_b 7.38664
_cell_length_c 7.42215
_cell_angle_alpha 89.69857
_cell_angle_beta 89.99523
_cell_angle_gamma 89.98650
_cell_volume 235.33631
_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 0.50003 0.79901 0.83211 1.00000
La2 La 0.00016 0.79504 0.33650 1.00000
La3 La 0.99986 0.20467 0.66307 1.00000
La4 La 0.49996 0.20136 0.16850 1.00000
Hg1 Hg 0.99999 0.49970 0.99971 1.00000
Ir1 Ir 1.00000 0.00058 0.00008 1.00000
Ir2 Ir 0.50001 0.99965 0.50003 1.00000
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