MgInGaCl6
Alexandria ALEXAlex-ID: agm005099342 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
InGaCl4 MgCl2
2022-12-16 20:05:12.062500
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005099342).
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
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# CIF generated by HEAS from Alexandria entry agm005099342
data_agm005099342
_cell_length_a 6.42611
_cell_length_b 6.42614
_cell_length_c 7.12310
_cell_angle_alpha 90.00289
_cell_angle_beta 89.99784
_cell_angle_gamma 59.99382
_cell_volume 254.72465
_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
Mg1 Mg 0.66664 0.66668 0.49999 1.00000
In1 In 0.99998 0.00001 0.99999 1.00000
Ga1 Ga 0.33330 0.33333 0.49999 1.00000
Cl1 Cl 0.01378 0.36321 0.30468 1.00000
Cl2 Cl 0.36318 0.01381 0.69530 1.00000
Cl3 Cl 0.62296 0.36323 0.69531 1.00000
Cl4 Cl 0.01375 0.62301 0.69530 1.00000
Cl5 Cl 0.36320 0.62299 0.30467 1.00000
Cl6 Cl 0.62298 0.01377 0.30468 1.00000
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