MgAl2Cd3(CuS4)2
Alexandria ALEXAlex-ID: agm010746418 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E8_17_spg1
AlCuS2 CdS MgS
2024-04-07 15:38:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010746418).
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 agm010746418
data_agm010746418
_cell_length_a 6.49704
_cell_length_b 6.85493
_cell_length_c 7.84932
_cell_angle_alpha 89.85992
_cell_angle_beta 90.01707
_cell_angle_gamma 90.04978
_cell_volume 349.58221
_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 0.00308 0.17670 0.24889 1.00000
Al1 Al 0.50017 0.33183 0.49919 1.00000
Al2 Al 0.00058 0.66708 0.00097 1.00000
Cd1 Cd 0.00522 0.17573 0.75268 1.00000
Cd2 Cd 0.50830 0.82875 0.25133 1.00000
Cd3 Cd 0.50732 0.82508 0.74727 1.00000
Cu1 Cu 0.00093 0.65362 0.49577 1.00000
Cu2 Cu 0.50183 0.34310 0.00416 1.00000
S1 S 0.85047 0.34522 0.49276 1.00000
S2 S 0.35021 0.64760 0.00062 1.00000
S3 S 0.35789 0.63413 0.49875 1.00000
S4 S 0.86128 0.36191 0.00787 1.00000
S5 S 0.38513 0.18481 0.25541 1.00000
S6 S 0.40106 0.18576 0.74878 1.00000
S7 S 0.90278 0.82639 0.24451 1.00000
S8 S 0.90135 0.81229 0.75104 1.00000
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