CrGa2
Alexandria ALEXAlex-ID: agm002145353 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_40_spg65
Cr3Ga CrGa4
2023-03-25 02:18:12.244353
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002145353).
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 agm002145353
data_agm002145353
_cell_length_a 3.90200
_cell_length_b 3.83729
_cell_length_c 6.17655
_cell_angle_alpha 90.00000
_cell_angle_beta 108.45209
_cell_angle_gamma 90.00000
_cell_volume 87.72737
_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
Cr1 Cr 0.34712 0.00000 0.69442 1.00000
Cr2 Cr 0.65288 0.00000 0.30558 1.00000
Ga1 Ga 0.82241 0.50000 0.64469 1.00000
Ga2 Ga 0.17759 0.50000 0.35531 1.00000
Ga3 Ga 0.50000 0.50000 0.00000 1.00000
Ga4 Ga 0.00000 0.00000 0.00000 1.00000
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