Ca3(GaSb2)2
Alexandria ALEXAlex-ID: agm005691709 · Space group: Pnnm (#58)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_3_spg58
Ca11GaSb9 CaGaSb GaSb
2023-06-26 19:09:24.188355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691709).
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 agm005691709
data_agm005691709
_cell_length_a 4.58207
_cell_length_b 6.88697
_cell_length_c 16.89207
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 533.05591
_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
Ca1 Ca 0.00000 0.27851 0.80555 1.00000
Ca2 Ca 0.50000 0.77851 0.69445 1.00000
Ca3 Ca 0.00000 0.72149 0.19445 1.00000
Ca4 Ca 0.50000 0.22149 0.30555 1.00000
Ca5 Ca 0.00000 0.00000 0.00000 1.00000
Ca6 Ca 0.50000 0.50000 0.50000 1.00000
Ga1 Ga 0.00000 0.85680 0.41042 1.00000
Ga2 Ga 0.50000 0.35680 0.08958 1.00000
Ga3 Ga 0.00000 0.14320 0.58958 1.00000
Ga4 Ga 0.50000 0.64320 0.91042 1.00000
Sb1 Sb 0.50000 0.25462 0.93273 1.00000
Sb2 Sb 0.50000 0.74538 0.06727 1.00000
Sb3 Sb 0.00000 0.22865 0.16997 1.00000
Sb4 Sb 0.00000 0.24538 0.43273 1.00000
Sb5 Sb 0.50000 0.72865 0.33003 1.00000
Sb6 Sb 0.00000 0.77135 0.83003 1.00000
Sb7 Sb 0.00000 0.75462 0.56727 1.00000
Sb8 Sb 0.50000 0.27135 0.66997 1.00000
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