Th2(AlNi)5
Alexandria ALEXAlex-ID: agm011900302 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_6_spg6
ThAl3Ni2 ThAlNi2 AlNi
2025-01-17 17:15:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011900302).
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 agm011900302
data_agm011900302
_cell_length_a 8.98480
_cell_length_b 4.12557
_cell_length_c 15.69993
_cell_angle_alpha 90.00000
_cell_angle_beta 90.17957
_cell_angle_gamma 90.00000
_cell_volume 581.95323
_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
Th1 Th 0.00086 0.50000 0.33672 1.00000
Th2 Th 0.49493 0.50000 0.83558 1.00000
Th3 Th 0.49524 0.50000 0.16929 1.00000
Th4 Th 0.99526 0.50000 0.66314 1.00000
Th5 Th 0.01904 0.00000 0.00196 1.00000
Th6 Th 0.50615 0.00000 0.49232 1.00000
Al1 Al 0.98737 0.00000 0.50116 1.00000
Al2 Al 0.48850 0.00000 0.00137 1.00000
Al3 Al 0.25399 0.00000 0.25947 1.00000
Al4 Al 0.74616 0.00000 0.75178 1.00000
Al5 Al 0.75254 0.00000 0.24697 1.00000
Al6 Al 0.24728 0.00000 0.74639 1.00000
Al7 Al 0.85169 0.50000 0.85283 1.00000
Al8 Al 0.85442 0.50000 0.14767 1.00000
Al9 Al 0.35096 0.50000 0.64613 1.00000
Al10 Al 0.21170 0.50000 0.49490 1.00000
Al11 Al 0.70257 0.50000 0.00103 1.00000
Al12 Al 0.15313 0.50000 0.14631 1.00000
Al13 Al 0.64755 0.50000 0.63940 1.00000
Al14 Al 0.64332 0.50000 0.35692 1.00000
Al15 Al 0.14946 0.50000 0.85701 1.00000
Ni1 Ni 0.00468 0.00000 0.18482 1.00000
Ni2 Ni 0.49945 0.00000 0.67841 1.00000
Ni3 Ni 0.77629 0.00000 0.40261 1.00000
Ni4 Ni 0.27733 0.00000 0.90143 1.00000
Ni5 Ni 0.21865 0.00000 0.41219 1.00000
Ni6 Ni 0.72621 0.00000 0.91101 1.00000
Ni7 Ni 0.50779 0.00000 0.31470 1.00000
Ni8 Ni 0.99952 0.00000 0.81790 1.00000
Ni9 Ni 0.27920 0.00000 0.10186 1.00000
Ni10 Ni 0.77185 0.00000 0.59509 1.00000
Ni11 Ni 0.72774 0.00000 0.08929 1.00000
Ni12 Ni 0.22606 0.00000 0.58824 1.00000
Ni13 Ni 0.79036 0.50000 0.49842 1.00000
Ni14 Ni 0.28730 0.50000 0.00141 1.00000
Ni15 Ni 0.35526 0.50000 0.35427 1.00000
