TmZn3Pt2
Alexandria ALEXAlex-ID: agm005806856 · 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
AB2C3_2319_spg12
TmZnPt Zn2Pt
2023-08-25 12:04:52.843713
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806856).
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 agm005806856
data_agm005806856
_cell_length_a 3.86021
_cell_length_b 8.83867
_cell_length_c 9.65549
_cell_angle_alpha 98.63695
_cell_angle_beta 90.00000
_cell_angle_gamma 102.61334
_cell_volume 317.65661
_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
Tm1 Tm 0.15647 0.31294 0.72222 1.00000
Tm2 Tm 0.84353 0.68706 0.27778 1.00000
Tm3 Tm 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.05765 0.11530 0.34623 1.00000
Zn2 Zn 0.94235 0.88470 0.65377 1.00000
Zn3 Zn 0.21913 0.43827 0.38503 1.00000
Zn4 Zn 0.78087 0.56173 0.61497 1.00000
Zn5 Zn 0.63705 0.27410 0.21434 1.00000
Zn6 Zn 0.36295 0.72590 0.78566 1.00000
Zn7 Zn 0.50000 0.00000 0.50000 1.00000
Zn8 Zn 0.35310 0.70620 0.04123 1.00000
Zn9 Zn 0.64690 0.29380 0.95877 1.00000
Pt1 Pt 0.21582 0.43164 0.11187 1.00000
Pt2 Pt 0.78418 0.56836 0.88813 1.00000
Pt3 Pt 0.47501 0.95003 0.22103 1.00000
Pt4 Pt 0.52499 0.04997 0.77897 1.00000
Pt5 Pt 0.35903 0.71807 0.51156 1.00000
Pt6 Pt 0.64097 0.28193 0.48844 1.00000
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