Y(TmTh)4
Alexandria ALEXAlex-ID: agm003596499 · 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
AB4C4_201_spg139
YTmTh2 Tm2Th Th
2022-04-06 02:15:35.468811
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003596499).
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 agm003596499
data_agm003596499
_cell_length_a 5.02028
_cell_length_b 7.91733
_cell_length_c 7.91733
_cell_angle_alpha 84.23106
_cell_angle_beta 71.51574
_cell_angle_gamma 71.51574
_cell_volume 283.06008
_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 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.66832 0.33172 0.33164 1.00000
Tm2 Tm 0.33168 0.66828 0.66836 1.00000
Tm3 Tm 0.99996 0.66836 0.33172 1.00000
Tm4 Tm 0.00004 0.33164 0.66828 1.00000
Th1 Th 0.66690 0.66625 0.99995 1.00000
Th2 Th 0.33310 0.33375 0.00005 1.00000
Th3 Th 0.66685 0.00005 0.66625 1.00000
Th4 Th 0.33315 0.99995 0.33375 1.00000
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