Cs3Y(TmSe3)2
Alexandria ALEXAlex-ID: agm034292847 · 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
AB2C3D6_28_spg12
CsTmSe2 CsYSe2
2024-11-29 01:56:07.869780
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034292847).
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 agm034292847
data_agm034292847
_cell_length_a 10.57058
_cell_length_b 10.57058
_cell_length_c 9.68764
_cell_angle_alpha 67.02301
_cell_angle_beta 112.97699
_cell_angle_gamma 156.88564
_cell_volume 389.75535
_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
Cs1 Cs 0.50000 0.50000 0.00000 1.00000
Cs2 Cs 0.83373 0.16627 0.66751 1.00000
Cs3 Cs 0.16627 0.83373 0.33249 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.83269 0.16731 0.16595 1.00000
Tm2 Tm 0.16731 0.83269 0.83405 1.00000
Se1 Se 0.34666 0.65334 0.37794 1.00000
Se2 Se 0.68150 0.31850 0.04572 1.00000
Se3 Se 0.65334 0.34666 0.62206 1.00000
Se4 Se 0.01581 0.98419 0.71667 1.00000
Se5 Se 0.98419 0.01581 0.28333 1.00000
Se6 Se 0.31850 0.68150 0.95428 1.00000
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