Rb2Er(CuSe2)2
Alexandria ALEXAlex-ID: agm011457783 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_490_spg2
RbErSe2 Rb(CuSe)2
2024-05-03 19:42:16.900540
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011457783).
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 agm011457783
data_agm011457783
_cell_length_a 9.29738
_cell_length_b 9.29738
_cell_length_c 7.83992
_cell_angle_alpha 63.89671
_cell_angle_beta 63.89671
_cell_angle_gamma 25.77033
_cell_volume 262.91729
_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
Rb1 Rb 0.86098 0.86098 0.66562 1.00000
Rb2 Rb 0.13902 0.13902 0.33438 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.36307 0.36307 0.22170 1.00000
Cu2 Cu 0.63693 0.63693 0.77830 1.00000
Se1 Se 0.81888 0.81888 0.15831 1.00000
Se2 Se 0.18112 0.18112 0.84169 1.00000
Se3 Se 0.48385 0.48385 0.26755 1.00000
Se4 Se 0.51615 0.51615 0.73245 1.00000
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