CaMgCu
Alexandria ALEXAlex-ID: agm070600752 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_75_spg12
CaMg2Cu CaCu
2024-07-21 21:19:56.655213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070600752).
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 agm070600752
data_agm070600752
_cell_length_a 5.70964
_cell_length_b 5.70964
_cell_length_c 7.37356
_cell_angle_alpha 58.48283
_cell_angle_beta 58.48283
_cell_angle_gamma 44.96569
_cell_volume 140.07106
_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 0.57461 0.57461 0.67088 1.00000
Ca2 Ca 0.42539 0.42539 0.32912 1.00000
Mg1 Mg 0.81147 0.81147 0.08586 1.00000
Mg2 Mg 0.18853 0.18853 0.91414 1.00000
Cu1 Cu 0.13165 0.13165 0.32758 1.00000
Cu2 Cu 0.86835 0.86835 0.67242 1.00000
