Sr2UCu2Se5
Alexandria ALEXAlex-ID: agm035360503 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_15_spg12
Sr5(USe4)3 UCu7Se6 SrSe Cu
2024-11-09 17:23:30.280864
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035360503).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm035360503
data_agm035360503
_cell_length_a 7.13787
_cell_length_b 7.13787
_cell_length_c 9.76104
_cell_angle_alpha 65.32165
_cell_angle_beta 65.32165
_cell_angle_gamma 33.76009
_cell_volume 248.67228
_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
Sr1 Sr 0.83105 0.83105 0.70107 1.00000
Sr2 Sr 0.16895 0.16895 0.29893 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.44284 0.44284 0.29197 1.00000
Cu2 Cu 0.55716 0.55716 0.70803 1.00000
Se1 Se 0.84179 0.84179 0.30647 1.00000
Se2 Se 0.15821 0.15821 0.69353 1.00000
Se3 Se 0.61948 0.61948 0.06731 1.00000
Se4 Se 0.38052 0.38052 0.93269 1.00000
Se5 Se 0.50000 0.50000 0.50000 1.00000
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