Ca2Mg3
Alexandria ALEXAlex-ID: agm005508180 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_675_spg43
CaMg2 Ca
2023-03-20 08:59:04.681591
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508180).
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 agm005508180
data_agm005508180
_cell_length_a 16.05171
_cell_length_b 15.11863
_cell_length_c 5.94369
_cell_angle_alpha 88.00933
_cell_angle_beta 70.27133
_cell_angle_gamma 21.71935
_cell_volume 301.09539
_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 0.29840 0.59337 0.24440 1.00000
Ca2 Ca 0.86383 0.24440 0.59337 1.00000
Ca3 Ca 0.65663 0.95160 0.38617 1.00000
Ca4 Ca 0.00560 0.38617 0.95160 1.00000
Mg1 Mg 0.34044 0.46553 0.71721 1.00000
Mg2 Mg 0.47682 0.71721 0.46553 1.00000
Mg3 Mg 0.78447 0.90956 0.77318 1.00000
Mg4 Mg 0.53279 0.77318 0.90956 1.00000
Mg5 Mg 0.02051 0.97949 0.97949 1.00000
Mg6 Mg 0.27051 0.22949 0.22949 1.00000
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