Ca2Mg2Cu3
Alexandria ALEXAlex-ID: agm011248633 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_525_spg2
CaMg2Cu MgCu2 CaCu
2024-05-04 12:02:07.832688
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011248633).
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 agm011248633
data_agm011248633
_cell_length_a 6.59216
_cell_length_b 6.59216
_cell_length_c 5.76970
_cell_angle_alpha 89.08607
_cell_angle_beta 89.08607
_cell_angle_gamma 38.71903
_cell_volume 156.81046
_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 0.14058 0.14058 0.38050 1.00000
Ca2 Ca 0.85942 0.85942 0.61950 1.00000
Mg1 Mg 0.40131 0.40131 0.15752 1.00000
Mg2 Mg 0.59869 0.59869 0.84248 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Cu2 Cu 0.21644 0.21644 0.89752 1.00000
Cu3 Cu 0.78356 0.78356 0.10248 1.00000
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