Mn2Cd3Cu7
Alexandria ALEXAlex-ID: agm024550814 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_69_spg12
Mn Cd Cu
2025-05-17 01:45:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024550814).
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 agm024550814
data_agm024550814
_cell_length_a 8.78320
_cell_length_b 8.78320
_cell_length_c 8.78320
_cell_angle_alpha 33.28514
_cell_angle_beta 33.28514
_cell_angle_gamma 33.28514
_cell_volume 181.69597
_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
Mn1 Mn 0.33424 0.33424 0.33424 1.00000
Mn2 Mn 0.66576 0.66576 0.66576 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.14487 0.14487 0.14487 1.00000
Cd3 Cd 0.85513 0.85513 0.85513 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Cu2 Cu 0.08293 0.58612 0.58612 1.00000
Cu3 Cu 0.58612 0.58612 0.08293 1.00000
Cu4 Cu 0.58612 0.08293 0.58612 1.00000
Cu5 Cu 0.91707 0.41388 0.41388 1.00000
Cu6 Cu 0.41388 0.91707 0.41388 1.00000
Cu7 Cu 0.41388 0.41388 0.91707 1.00000
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