Ac4Ga2Cl5
Alexandria ALEXAlex-ID: agm003363009 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_173_spg12
Ac5Ga3 AcGa AcCl3
2022-02-05 02:15:14.339621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003363009).
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 agm003363009
data_agm003363009
_cell_length_a 4.44368
_cell_length_b 8.62199
_cell_length_c 12.72249
_cell_angle_alpha 74.32627
_cell_angle_beta 100.05764
_cell_angle_gamma 90.00000
_cell_volume 461.53189
_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
Ac1 Ac 0.66025 0.53535 0.32050 1.00000
Ac2 Ac 0.00200 0.73333 0.00401 1.00000
Ac3 Ac 0.33975 0.46465 0.67950 1.00000
Ac4 Ac 0.99800 0.26667 0.99599 1.00000
Ga1 Ga 0.55147 0.45851 0.10295 1.00000
Ga2 Ga 0.44853 0.54149 0.89705 1.00000
Cl1 Cl 0.12557 0.77005 0.25115 1.00000
Cl2 Cl 0.87443 0.22995 0.74885 1.00000
Cl3 Cl 0.22780 0.34529 0.45559 1.00000
Cl4 Cl 0.50000 0.00000 0.00000 1.00000
Cl5 Cl 0.77220 0.65471 0.54441 1.00000
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