RbSr2Zn2Sb3
Alexandria ALEXAlex-ID: agm019750108 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3_26_spg62
Sr2ZnSb2 RbZnSb
2025-01-22 05:51:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019750108).
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 agm019750108
data_agm019750108
_cell_length_a 4.78425
_cell_length_b 12.76592
_cell_length_c 16.19079
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 988.85818
_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 0.00000 0.40857 0.30242 1.00000
Rb2 Rb 0.00000 0.90857 0.69758 1.00000
Rb3 Rb 0.50000 0.59190 0.19758 1.00000
Rb4 Rb 0.50000 0.09190 0.80242 1.00000
Sr1 Sr 0.00000 0.09594 0.17673 1.00000
Sr2 Sr 0.00000 0.59594 0.82327 1.00000
Sr3 Sr 0.50000 0.90450 0.32328 1.00000
Sr4 Sr 0.50000 0.40450 0.67672 1.00000
Sr5 Sr 0.00000 0.36536 0.03683 1.00000
Sr6 Sr 0.00000 0.86536 0.96317 1.00000
Sr7 Sr 0.50000 0.63510 0.46322 1.00000
Sr8 Sr 0.50000 0.13510 0.53678 1.00000
Zn1 Zn 0.00000 0.30118 0.83497 1.00000
Zn2 Zn 0.00000 0.80118 0.16503 1.00000
Zn3 Zn 0.50000 0.69920 0.66507 1.00000
Zn4 Zn 0.50000 0.19920 0.33493 1.00000
Zn5 Zn 0.00000 0.37195 0.53963 1.00000
Zn6 Zn 0.00000 0.87195 0.46037 1.00000
Zn7 Zn 0.50000 0.62834 0.96034 1.00000
Zn8 Zn 0.50000 0.12834 0.03966 1.00000
Sb1 Sb 0.00000 0.08469 0.38410 1.00000
Sb2 Sb 0.00000 0.58469 0.61590 1.00000
Sb3 Sb 0.50000 0.91573 0.11593 1.00000
Sb4 Sb 0.50000 0.41573 0.88407 1.00000
Sb5 Sb 0.00000 0.12954 0.95355 1.00000
Sb6 Sb 0.00000 0.62954 0.04645 1.00000
Sb7 Sb 0.50000 0.87090 0.54648 1.00000
Sb8 Sb 0.50000 0.37090 0.45352 1.00000
Sb9 Sb 0.00000 0.72208 0.32776 1.00000
Sb10 Sb 0.00000 0.22208 0.67224 1.00000
Sb11 Sb 0.50000 0.27834 0.17224 1.00000
Sb12 Sb 0.50000 0.77834 0.82776 1.00000
