AcPr2Zn3
Alexandria ALEXAlex-ID: agm017669431 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4644_spg2
AcPr5Zn6 Ac5PrZn6
2025-03-07 22:20:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017669431).
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 agm017669431
data_agm017669431
_cell_length_a 8.47639
_cell_length_b 8.47639
_cell_length_c 7.50594
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.14555
_cell_volume 323.46086
_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 0.33402 0.66598 0.50000 1.00000
Ac2 Ac 0.66598 0.33402 0.50000 1.00000
Pr1 Pr 0.00000 0.00000 0.50000 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.33192 0.66808 0.00000 1.00000
Pr4 Pr 0.66808 0.33192 0.00000 1.00000
Zn1 Zn 0.83667 0.16333 0.23541 1.00000
Zn2 Zn 0.50000 0.50000 0.76284 1.00000
Zn3 Zn 0.16333 0.83667 0.76459 1.00000
Zn4 Zn 0.83667 0.16333 0.76459 1.00000
Zn5 Zn 0.16333 0.83667 0.23541 1.00000
Zn6 Zn 0.50000 0.50000 0.23716 1.00000
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