Gd3GaNiSe7
Alexandria ALEXAlex-ID: agm005243533 · Space group: P6_3 (#173)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D7_1_spg173
Ni3Se4 Ga2Se3 Ni3Se2 Gd2Se3
2023-05-09 20:40:34.706701
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243533).
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 agm005243533
data_agm005243533
_cell_length_a 10.06955
_cell_length_b 10.06955
_cell_length_c 6.50816
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 571.49030
_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
Gd1 Gd 0.84219 0.62730 0.82325 1.00000
Gd2 Gd 0.78510 0.15781 0.82325 1.00000
Gd3 Gd 0.37270 0.21490 0.82325 1.00000
Gd4 Gd 0.15781 0.37270 0.32325 1.00000
Gd5 Gd 0.21490 0.84219 0.32325 1.00000
Gd6 Gd 0.62730 0.78510 0.32325 1.00000
Ga1 Ga 0.33333 0.66667 0.90047 1.00000
Ga2 Ga 0.66667 0.33333 0.40047 1.00000
Ni1 Ni 0.00000 0.00000 0.49263 1.00000
Ni2 Ni 0.00000 0.00000 0.99263 1.00000
Se1 Se 0.56241 0.47993 0.55570 1.00000
Se2 Se 0.91752 0.43759 0.55570 1.00000
Se3 Se 0.52007 0.08248 0.55570 1.00000
Se4 Se 0.43759 0.52007 0.05570 1.00000
Se5 Se 0.08248 0.56241 0.05570 1.00000
Se6 Se 0.47993 0.91752 0.05570 1.00000
Se7 Se 0.33333 0.66667 0.52983 1.00000
Se8 Se 0.66667 0.33333 0.02983 1.00000
Se9 Se 0.13128 0.89759 0.73126 1.00000
Se10 Se 0.76630 0.86872 0.73126 1.00000
Se11 Se 0.10241 0.23370 0.73126 1.00000
Se12 Se 0.86872 0.10241 0.23126 1.00000
Se13 Se 0.23370 0.13128 0.23126 1.00000
Se14 Se 0.89759 0.76630 0.23126 1.00000
