K2Pr(GaSb2)2
Alexandria ALEXAlex-ID: agm004564375 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_0_spg12
K2Ga2Sb3 PrSb
2022-06-19 14:22:29.963181
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004564375).
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 agm004564375
data_agm004564375
_cell_length_a 4.47464
_cell_length_b 8.33249
_cell_length_c 8.64088
_cell_angle_alpha 106.54077
_cell_angle_beta 105.00614
_cell_angle_gamma 90.00000
_cell_volume 297.36316
_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
K1 K 0.13538 0.56043 0.27077 1.00000
K2 K 0.86462 0.43957 0.72923 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.66259 0.96855 0.32517 1.00000
Ga2 Ga 0.33741 0.03145 0.67483 1.00000
Sb1 Sb 0.20430 0.17538 0.40860 1.00000
Sb2 Sb 0.79570 0.82462 0.59140 1.00000
Sb3 Sb 0.51172 0.73366 0.02345 1.00000
Sb4 Sb 0.48828 0.26634 0.97655 1.00000
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