Al4ZnTc
Alexandria ALEXAlex-ID: agm005778730 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2082_spg11
Al4Tc Zn
2023-07-27 01:37:06.983996
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778730).
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 agm005778730
data_agm005778730
_cell_length_a 4.93407
_cell_length_b 5.13501
_cell_length_c 8.72100
_cell_angle_alpha 90.00000
_cell_angle_beta 58.26734
_cell_angle_gamma 89.99999
_cell_volume 187.92866
_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
Al1 Al 0.32059 0.75000 0.08046 1.00000
Al2 Al 0.67941 0.25000 0.91954 1.00000
Al3 Al 0.68052 0.75000 0.70483 1.00000
Al4 Al 0.31948 0.25000 0.29517 1.00000
Al5 Al 0.22590 0.00546 0.65769 1.00000
Al6 Al 0.77410 0.50546 0.34231 1.00000
Al7 Al 0.22590 0.49454 0.65769 1.00000
Al8 Al 0.77410 0.99454 0.34231 1.00000
Zn1 Zn 0.88730 0.75000 0.00382 1.00000
Zn2 Zn 0.11270 0.25000 0.99618 1.00000
Tc1 Tc 0.24097 0.75000 0.39234 1.00000
Tc2 Tc 0.75903 0.25000 0.60766 1.00000
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