Al4CrGa
Alexandria ALEXAlex-ID: agm003757358 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1120_spg12
Al45Cr7 Al3Cr CrGa4
2022-04-18 05:44:46.245555
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003757358).
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 agm003757358
data_agm003757358
_cell_length_a 5.13846
_cell_length_b 6.50070
_cell_length_c 7.31956
_cell_angle_alpha 116.36343
_cell_angle_beta 110.86386
_cell_angle_gamma 90.00000
_cell_volume 201.02037
_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
Al1 Al 0.17881 0.67643 0.35285 1.00000
Al2 Al 0.37343 0.10831 0.74879 1.00000
Al3 Al 1.00000 0.19467 1.00000 1.00000
Al4 Al 0.62657 0.35953 0.25121 1.00000
Al5 Al 0.82119 0.32357 0.64715 1.00000
Al6 Al 0.62657 0.89169 0.25121 1.00000
Al7 Al 0.00000 0.80533 0.00000 1.00000
Al8 Al 0.37343 0.64047 0.74879 1.00000
Cr1 Cr 0.28293 0.50026 0.00052 1.00000
Cr2 Cr 0.71707 0.49974 0.99948 1.00000
Ga1 Ga 0.80191 0.79652 0.59304 1.00000
Ga2 Ga 0.19809 0.20348 0.40696 1.00000
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