Cs2RbGeSe4
Alexandria ALEXAlex-ID: agm004767239 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_489_spg70
Rb4GeSe4 Cs2Se3 Cs2GeSe3
2023-02-06 07:15:13.605729
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004767239).
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 agm004767239
data_agm004767239
_cell_length_a 7.51949
_cell_length_b 8.46070
_cell_length_c 12.32568
_cell_angle_alpha 82.20958
_cell_angle_beta 72.23983
_cell_angle_gamma 63.61651
_cell_volume 669.00373
_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 0.18768 0.00000 0.62464 1.00000
Cs2 Cs 0.81232 0.00000 0.37536 1.00000
Cs3 Cs 0.56232 0.50000 0.87536 1.00000
Cs4 Cs 0.93768 0.50000 0.12464 1.00000
Rb1 Rb 0.75000 0.50000 0.50000 1.00000
Rb2 Rb 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.25000 0.50000 0.50000 1.00000
Ge2 Ge 0.50000 0.00000 0.00000 1.00000
Se1 Se 0.36671 0.80654 0.12482 1.00000
Se2 Se 0.29807 0.19346 0.87518 1.00000
Se3 Se 0.82676 0.80654 0.87518 1.00000
Se4 Se 0.50847 0.19346 0.12482 1.00000
Se5 Se 0.38329 0.69346 0.37518 1.00000
Se6 Se 0.45193 0.30654 0.62482 1.00000
Se7 Se 0.92324 0.69346 0.62482 1.00000
Se8 Se 0.24153 0.30654 0.37518 1.00000
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