La2Tm2Zr2Sn
Alexandria ALEXAlex-ID: agm011256256 · 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
AB2C2D2_117_spg119
TmZr5 LaTm2 La3Sn La4TmSn3
2024-06-02 07:57:12.369658
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011256256).
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 agm011256256
data_agm011256256
_cell_length_a 14.74894
_cell_length_b 14.74894
_cell_length_c 14.74894
_cell_angle_alpha 165.43455
_cell_angle_beta 165.43455
_cell_angle_gamma 20.65490
_cell_volume 202.88558
_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 0.87523 0.87523 0.00000 1.00000
La2 La 0.12477 0.12477 0.00000 1.00000
Tm1 Tm 0.71256 0.71256 0.00000 1.00000
Tm2 Tm 0.28744 0.28744 0.00000 1.00000
Zr1 Zr 0.55124 0.55124 0.00000 1.00000
Zr2 Zr 0.44876 0.44876 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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