Y(ThZn2)2
Alexandria ALEXAlex-ID: agm038457001 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_169_spg71
Th2Zn YZn2 ThZn2
2025-06-06 11:49:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm038457001).
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 agm038457001
data_agm038457001
_cell_length_a 10.31594
_cell_length_b 10.31594
_cell_length_c 10.31594
_cell_angle_alpha 159.87950
_cell_angle_beta 155.05315
_cell_angle_gamma 32.25613
_cell_volume 159.15769
_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 0.50000 0.50000 0.00000 1.00000
Th1 Th 0.80326 0.30326 0.50000 1.00000
Th2 Th 0.19674 0.69674 0.50000 1.00000
Zn1 Zn 0.63236 0.13236 0.50000 1.00000
Zn2 Zn 0.36764 0.86764 0.50000 1.00000
Zn3 Zn 0.06343 0.06343 0.00000 1.00000
Zn4 Zn 0.93657 0.93657 0.00000 1.00000
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