Ac3Cd2Sn3
Alexandria ALEXAlex-ID: agm003326862 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
AcCdSn AcSn
2022-01-22 16:17:07.098860
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003326862).
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 agm003326862
data_agm003326862
_cell_length_a 4.87021
_cell_length_b 6.74563
_cell_length_c 16.53685
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 111.16102
_cell_volume 506.64527
_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
Ac1 Ac 0.92950 0.85900 0.38825 1.00000
Ac2 Ac 0.07050 0.14100 0.88825 1.00000
Ac3 Ac 0.92950 0.85900 0.11175 1.00000
Ac4 Ac 0.07050 0.14100 0.61175 1.00000
Ac5 Ac 0.64642 0.29284 0.25000 1.00000
Ac6 Ac 0.35358 0.70716 0.75000 1.00000
Cd1 Cd 0.77241 0.54482 0.90136 1.00000
Cd2 Cd 0.22759 0.45518 0.40136 1.00000
Cd3 Cd 0.77241 0.54482 0.59864 1.00000
Cd4 Cd 0.22759 0.45518 0.09864 1.00000
Sn1 Sn 0.61881 0.23762 0.45671 1.00000
Sn2 Sn 0.38119 0.76238 0.95671 1.00000
Sn3 Sn 0.61881 0.23762 0.04329 1.00000
Sn4 Sn 0.38119 0.76238 0.54329 1.00000
Sn5 Sn 0.36246 0.72492 0.25000 1.00000
Sn6 Sn 0.63754 0.27508 0.75000 1.00000
Get direct link