Ac3Zn3Cd8
Alexandria ALEXAlex-ID: agm005688971 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
AcCd3 Ac3Cd11 AcZn4
2023-06-29 11:40:33.380970
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688971).
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 agm005688971
data_agm005688971
_cell_length_a 5.10936
_cell_length_b 9.02927
_cell_length_c 9.02927
_cell_angle_alpha 65.34468
_cell_angle_beta 73.56465
_cell_angle_gamma 73.56465
_cell_volume 356.55383
_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 0.50000 0.50000 0.50000 1.00000
Ac2 Ac 0.78728 0.21272 0.21272 1.00000
Ac3 Ac 0.21272 0.78728 0.78728 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
Zn2 Zn 0.00000 0.85278 0.14722 1.00000
Zn3 Zn 1.00000 0.14722 0.85278 1.00000
Cd1 Cd 0.63432 0.06924 0.66212 1.00000
Cd2 Cd 0.36568 0.93076 0.33788 1.00000
Cd3 Cd 0.63432 0.66212 0.06924 1.00000
Cd4 Cd 0.36568 0.33788 0.93076 1.00000
Cd5 Cd 0.85447 0.79395 0.49710 1.00000
Cd6 Cd 0.14553 0.20605 0.50290 1.00000
Cd7 Cd 0.85447 0.49710 0.79395 1.00000
Cd8 Cd 0.14553 0.50290 0.20605 1.00000
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