Cs2Sc3Cu5Se8
Alexandria ALEXAlex-ID: agm009489308 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5D8_1_spg8
Cs3Sc11Se18 CsCu3Se2 Cs(CuSe)3 Cu
2024-04-10 17:33:38.334761
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009489308).
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 agm009489308
data_agm009489308
_cell_length_a 7.53023
_cell_length_b 7.53023
_cell_length_c 15.04028
_cell_angle_alpha 68.84438
_cell_angle_beta 68.84438
_cell_angle_gamma 31.27891
_cell_volume 410.52983
_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 0.99370 0.99370 0.99611 1.00000
Cs2 Cs 0.64184 0.64184 0.57997 1.00000
Sc1 Sc 0.96762 0.96762 0.39957 1.00000
Sc2 Sc 0.66808 0.66808 0.17150 1.00000
Sc3 Sc 0.80184 0.80184 0.78390 1.00000
Cu1 Cu 0.27829 0.27829 0.99201 1.00000
Cu2 Cu 0.34201 0.34201 0.61422 1.00000
Cu3 Cu 0.01106 0.01106 0.77499 1.00000
Cu4 Cu 0.21746 0.21746 0.33354 1.00000
Cu5 Cu 0.41445 0.41445 0.24778 1.00000
Se1 Se 0.41808 0.41808 0.82798 1.00000
Se2 Se 0.69422 0.69422 0.98338 1.00000
Se3 Se 0.30101 0.30101 0.15433 1.00000
Se4 Se 0.18799 0.18799 0.75667 1.00000
Se5 Se 0.93517 0.93517 0.59644 1.00000
Se6 Se 0.33262 0.33262 0.42487 1.00000
Se7 Se 0.61052 0.61052 0.36733 1.00000
Se8 Se 0.02192 0.02192 0.20889 1.00000
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