Ca3(MgCd)4
Alexandria ALEXAlex-ID: agm005695029 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
CaMgCd Mg3Cd CaMgCd2
2023-07-02 00:58:10.366414
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695029).
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 agm005695029
data_agm005695029
_cell_length_a 3.60093
_cell_length_b 4.99907
_cell_length_c 16.25415
_cell_angle_alpha 81.20419
_cell_angle_beta 83.40886
_cell_angle_gamma 90.09449
_cell_volume 287.18901
_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 0.14097 0.64161 0.71579 1.00000
Ca2 Ca 0.85906 0.35841 0.28421 1.00000
Ca3 Ca 0.00001 0.00001 0.00000 1.00000
Mg1 Mg 0.59080 0.09263 0.81336 1.00000
Mg2 Mg 0.26253 0.26185 0.47618 1.00000
Mg3 Mg 0.73750 0.73817 0.52382 1.00000
Mg4 Mg 0.40922 0.90739 0.18665 1.00000
Cd1 Cd 0.54839 0.54625 0.90598 1.00000
Cd2 Cd 0.45164 0.45378 0.09402 1.00000
Cd3 Cd 0.31602 0.81573 0.36921 1.00000
Cd4 Cd 0.68401 0.18430 0.63079 1.00000
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