Ca3MgCd2
Alexandria ALEXAlex-ID: agm005674887 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_570_spg65
Ca5Cd3 CaMg2 CaCd
2023-08-22 15:41:20.822138
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674887).
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 agm005674887
data_agm005674887
_cell_length_a 3.85243
_cell_length_b 5.50411
_cell_length_c 8.67501
_cell_angle_alpha 108.49613
_cell_angle_beta 89.99999
_cell_angle_gamma 90.00000
_cell_volume 174.44488
_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
Ca1 Ca 0.50000 0.50000 0.00000 1.00000
Ca2 Ca 0.50000 0.82789 0.65578 1.00000
Ca3 Ca 0.50000 0.17211 0.34422 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 1.00000 0.33891 0.67783 1.00000
Cd2 Cd 0.00000 0.66109 0.32217 1.00000
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