Tb2Dy(AgSe2)3
Alexandria ALEXAlex-ID: agm020651077 · 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_401_spg1
DyAgSe2 TbAgSe2
2024-10-28 16:33:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020651077).
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 agm020651077
data_agm020651077
_cell_length_a 8.38562
_cell_length_b 8.38562
_cell_length_c 9.90645
_cell_angle_alpha 74.72911
_cell_angle_beta 105.27089
_cell_angle_gamma 150.88864
_cell_volume 326.11720
_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
Tb1 Tb 0.83885 0.16115 0.66202 1.00000
Tb2 Tb 0.16115 0.83885 0.33798 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Ag2 Ag 0.82251 0.17749 0.04382 1.00000
Ag3 Ag 0.17749 0.82251 0.95618 1.00000
Se1 Se 0.31629 0.68371 0.85530 1.00000
Se2 Se 0.65824 0.34176 0.53141 1.00000
Se3 Se 0.68371 0.31629 0.14470 1.00000
Se4 Se 0.98497 0.01503 0.19414 1.00000
Se5 Se 0.01503 0.98497 0.80586 1.00000
Se6 Se 0.34176 0.65824 0.46859 1.00000
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