Y4MnCd
Alexandria ALEXAlex-ID: agm005803698 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
Y2Cd Y Mn
2023-07-30 11:25:54.392883
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803698).
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 agm005803698
data_agm005803698
_cell_length_a 6.05802
_cell_length_b 7.78472
_cell_length_c 7.78472
_cell_angle_alpha 111.34365
_cell_angle_beta 99.56661
_cell_angle_gamma 99.56662
_cell_volume 326.76088
_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
Y1 Y 0.88660 0.63348 0.79698 1.00000
Y2 Y 0.04600 0.93538 0.27202 1.00000
Y3 Y 0.61340 0.20302 0.36652 1.00000
Y4 Y 0.45400 0.72798 0.06462 1.00000
Y5 Y 0.54600 0.27202 0.93538 1.00000
Y6 Y 0.38660 0.79698 0.63348 1.00000
Y7 Y 0.95400 0.06462 0.72798 1.00000
Y8 Y 0.11340 0.36652 0.20302 1.00000
Mn1 Mn 0.25000 0.99900 0.00100 1.00000
Mn2 Mn 0.75000 0.00100 0.99900 1.00000
Cd1 Cd 0.75000 0.62502 0.37498 1.00000
Cd2 Cd 0.25000 0.37498 0.62502 1.00000
Get direct link