AcZn11Tc
Alexandria ALEXAlex-ID: agm005702465 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_5_spg12
ZnTc2 Ac2Zn17 AcZn13
2023-06-29 15:49:36.916648
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702465).
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 agm005702465
data_agm005702465
_cell_length_a 5.16774
_cell_length_b 6.91252
_cell_length_c 7.15615
_cell_angle_alpha 82.19724
_cell_angle_beta 68.83409
_cell_angle_gamma 67.91369
_cell_volume 220.89421
_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 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.26783 0.23441 0.23906 1.00000
Zn2 Zn 0.73217 0.76559 0.76094 1.00000
Zn3 Zn 0.49311 0.76559 0.23906 1.00000
Zn4 Zn 0.50689 0.23441 0.76094 1.00000
Zn5 Zn 0.38002 0.63501 0.64981 1.00000
Zn6 Zn 0.61998 0.36499 0.35019 1.00000
Zn7 Zn 0.97018 0.36499 0.64981 1.00000
Zn8 Zn 0.02982 0.63501 0.35019 1.00000
Zn9 Zn 0.00000 0.50000 0.00000 1.00000
Zn10 Zn 0.50000 0.00000 0.50000 1.00000
Zn11 Zn 0.00000 0.00000 0.50000 1.00000
Tc1 Tc 0.50000 0.50000 0.00000 1.00000
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