PrY2(HoSe2)3
Alexandria ALEXAlex-ID: agm034960180 · 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_201_spg12
Y2Ho3Se5 Y4HoSe5 Pr2Ho3Se5
2025-02-06 13:41:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034960180).
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 agm034960180
data_agm034960180
_cell_length_a 9.15554
_cell_length_b 9.15554
_cell_length_c 8.24967
_cell_angle_alpha 77.37968
_cell_angle_beta 102.62032
_cell_angle_gamma 154.22400
_cell_volume 293.05949
_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
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.83890 0.16110 0.16579 1.00000
Y2 Y 0.16110 0.83890 0.83421 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.16466 0.83534 0.33044 1.00000
Ho3 Ho 0.83534 0.16466 0.66956 1.00000
Se1 Se 0.32692 0.67308 0.91023 1.00000
Se2 Se 0.66777 0.33223 0.58218 1.00000
Se3 Se 0.67308 0.32692 0.08977 1.00000
Se4 Se 0.99743 0.00257 0.73598 1.00000
Se5 Se 0.00257 0.99743 0.26402 1.00000
Se6 Se 0.33223 0.66777 0.41782 1.00000
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