Lu5Zr3(Ni4As3)4
Alexandria ALEXAlex-ID: agm005226331 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C12D16_0_spg189
Lu5Zr3(Ni4As3)4
2024-10-06 04:35:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226331).
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 agm005226331
data_agm005226331
_cell_length_a 3.89400
_cell_length_b 12.73220
_cell_length_c 12.73252
_cell_angle_alpha 119.99914
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 546.69957
_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
Lu1 Lu 0.50000 0.00000 0.18254 1.00000
Lu2 Lu 0.50000 0.18254 1.00000 1.00000
Lu3 Lu 0.50000 0.81746 0.81746 1.00000
Lu4 Lu 0.00000 0.33333 0.66667 1.00000
Lu5 Lu 0.00000 0.66667 0.33333 1.00000
Zr1 Zr 0.00000 0.99999 0.56168 1.00000
Zr2 Zr 0.00000 0.56169 0.00000 1.00000
Zr3 Zr 0.00000 0.43831 0.43832 1.00000
Ni1 Ni 0.50000 1.00000 0.72424 1.00000
Ni2 Ni 0.50000 0.72425 0.00000 1.00000
Ni3 Ni 0.50000 0.27575 0.27576 1.00000
Ni4 Ni 0.00000 0.19253 0.37571 1.00000
Ni5 Ni 0.00000 0.18320 0.80749 1.00000
Ni6 Ni 0.00000 0.62428 0.81681 1.00000
Ni7 Ni 0.00000 0.81682 0.62429 1.00000
Ni8 Ni 0.00000 0.37571 0.19251 1.00000
Ni9 Ni 0.00000 0.80747 0.18319 1.00000
Ni10 Ni 0.50000 0.12217 0.48305 1.00000
Ni11 Ni 0.50000 0.36087 0.87782 1.00000
Ni12 Ni 0.50000 0.51694 0.63913 1.00000
Ni13 Ni 0.50000 0.63912 0.51695 1.00000
Ni14 Ni 0.50000 0.48305 0.12218 1.00000
Ni15 Ni 0.50000 0.87781 0.36087 1.00000
Ni16 Ni 0.00000 0.00000 0.00000 1.00000
As1 As 0.00000 0.00000 0.82286 1.00000
As2 As 0.00000 0.82287 0.00000 1.00000
As3 As 0.00000 0.17714 0.17714 1.00000
As4 As 0.50000 0.30779 0.48096 1.00000
As5 As 0.50000 0.17315 0.69220 1.00000
As6 As 0.50000 0.51904 0.82684 1.00000
As7 As 0.50000 0.82683 0.51904 1.00000
As8 As 0.50000 0.48095 0.30780 1.00000
As9 As 0.50000 0.69220 0.17316 1.00000
As10 As 0.00000 0.00001 0.35331 1.00000
As11 As 0.00000 0.35331 1.00000 1.00000
As12 As 0.00000 0.64669 0.64669 1.00000
