Y8TmAs4
Alexandria ALEXAlex-ID: agm097658736 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_776_spg1
Y5Tm YTm2 YAs
2025-06-02 09:45:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097658736).
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 agm097658736
data_agm097658736
_cell_length_a 3.93694
_cell_length_b 9.99199
_cell_length_c 10.00004
_cell_angle_alpha 67.90045
_cell_angle_beta 90.01267
_cell_angle_gamma 90.01573
_cell_volume 364.47945
_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 0.84616 0.28283 0.21456 1.00000
Y2 Y 0.84622 0.66396 0.19261 1.00000
Y3 Y 0.34603 0.68774 0.52723 1.00000
Y4 Y 0.34653 0.03791 0.57355 1.00000
Y5 Y 0.34607 0.98278 0.22718 1.00000
Y6 Y 0.34612 0.39507 0.45784 1.00000
Y7 Y 0.34596 0.32838 0.86936 1.00000
Y8 Y 0.84623 0.67533 0.82473 1.00000
Tm1 Tm 0.34630 0.92532 0.92832 1.00000
As1 As 0.84600 0.11480 0.01536 1.00000
As2 As 0.34619 0.51358 0.05651 1.00000
As3 As 0.84595 0.47565 0.65714 1.00000
As4 As 0.84624 0.91665 0.45561 1.00000
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