CsRb2ScSb2
Alexandria ALEXAlex-ID: agm047465635 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_99_spg72
Rb3ScSb2 Cs2RbScSb2
2024-10-26 02:58:15.866572
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047465635).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm047465635
data_agm047465635
_cell_length_a 9.96221
_cell_length_b 9.96221
_cell_length_c 9.96221
_cell_angle_alpha 135.73633
_cell_angle_beta 123.95897
_cell_angle_gamma 74.05381
_cell_volume 558.80960
_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 0.00000 0.75000 0.75000 1.00000
Cs2 Cs 0.00000 0.25000 0.25000 1.00000
Rb1 Rb 0.50084 0.68593 0.81491 1.00000
Rb2 Rb 0.49916 0.31407 0.18509 1.00000
Rb3 Rb 0.12897 0.81407 0.31491 1.00000
Rb4 Rb 0.87103 0.18593 0.68509 1.00000
Sc1 Sc 0.50000 0.75000 0.25000 1.00000
Sc2 Sc 0.50000 0.25000 0.75000 1.00000
Sb1 Sb 0.77103 0.59307 0.17796 1.00000
Sb2 Sb 0.41511 0.09307 0.32204 1.00000
Sb3 Sb 0.58489 0.90693 0.67796 1.00000
Sb4 Sb 0.22897 0.40693 0.82204 1.00000
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