La3(Zn2Sn)2
Alexandria ALEXAlex-ID: agm005604635 · 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
A2B3C4_272_spg12
LaZnSn LaZn2
2023-06-29 08:27:59.266505
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604635).
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 agm005604635
data_agm005604635
_cell_length_a 4.63446
_cell_length_b 6.23472
_cell_length_c 8.96283
_cell_angle_alpha 106.40672
_cell_angle_beta 90.00004
_cell_angle_gamma 111.81829
_cell_volume 229.02776
_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 0.66910 0.33820 0.66683 1.00000
La2 La 0.00000 0.00000 0.00000 1.00000
La3 La 0.33090 0.66180 0.33317 1.00000
Zn1 Zn 0.74478 0.48956 0.06421 1.00000
Zn2 Zn 0.25522 0.51044 0.93579 1.00000
Zn3 Zn 0.97572 0.95144 0.63053 1.00000
Zn4 Zn 0.02428 0.04856 0.36947 1.00000
Sn1 Sn 0.61239 0.22478 0.27650 1.00000
Sn2 Sn 0.38761 0.77522 0.72350 1.00000
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