Y8AlTl4
Alexandria ALEXAlex-ID: agm097704099 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1504_spg8
YAl Y5Al2Tl Y5Tl3
2025-06-02 11:14:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097704099).
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 agm097704099
data_agm097704099
_cell_length_a 3.89426
_cell_length_b 9.96353
_cell_length_c 10.85570
_cell_angle_alpha 63.51549
_cell_angle_beta 90.28863
_cell_angle_gamma 91.77341
_cell_volume 376.80530
_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
Y1 Y 0.61372 0.18354 0.16012 1.00000
Y2 Y 0.61811 0.68559 0.13564 1.00000
Y3 Y 0.64743 0.65950 0.71317 1.00000
Y4 Y 0.52882 0.15915 0.61107 1.00000
Y5 Y 0.25727 0.76789 0.40257 1.00000
Y6 Y 0.10067 0.36573 0.32646 1.00000
Y7 Y 0.12144 0.31777 0.80616 1.00000
Y8 Y 0.09559 0.86143 0.83632 1.00000
Al1 Al 0.60970 0.05519 0.90725 1.00000
Tl1 Tl 0.09624 0.95992 0.10663 1.00000
Tl2 Tl 0.12983 0.49560 0.99880 1.00000
Tl3 Tl 0.72492 0.49155 0.51480 1.00000
Tl4 Tl 0.95625 0.99715 0.48102 1.00000
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