YSi3Ni5
Alexandria ALEXAlex-ID: agm003243997 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_26_spg62
YSi3Ni5
2021-12-17 21:32:05.438532
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243997).
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 agm003243997
data_agm003243997
_cell_length_a 3.78772
_cell_length_b 6.65692
_cell_length_c 18.72946
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 472.25498
_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
Y1 Y 0.25000 0.62287 0.64299 1.00000
Y2 Y 0.75000 0.37713 0.35701 1.00000
Y3 Y 0.75000 0.12287 0.85701 1.00000
Y4 Y 0.25000 0.87713 0.14299 1.00000
Si1 Si 0.25000 0.84345 0.92629 1.00000
Si2 Si 0.75000 0.15655 0.07371 1.00000
Si3 Si 0.75000 0.34345 0.57371 1.00000
Si4 Si 0.25000 0.65655 0.42629 1.00000
Si5 Si 0.75000 0.62039 0.76210 1.00000
Si6 Si 0.25000 0.37961 0.23790 1.00000
Si7 Si 0.25000 0.42076 0.91358 1.00000
Si8 Si 0.75000 0.57924 0.08642 1.00000
Si9 Si 0.75000 0.92076 0.58642 1.00000
Si10 Si 0.25000 0.07924 0.41358 1.00000
Si11 Si 0.25000 0.12039 0.73790 1.00000
Si12 Si 0.75000 0.87961 0.26210 1.00000
Ni1 Ni 0.25000 0.13468 0.99423 1.00000
Ni2 Ni 0.75000 0.38595 0.98438 1.00000
Ni3 Ni 0.75000 0.11405 0.48438 1.00000
Ni4 Ni 0.25000 0.61405 0.01562 1.00000
Ni5 Ni 0.25000 0.35472 0.11538 1.00000
Ni6 Ni 0.75000 0.64528 0.88462 1.00000
Ni7 Ni 0.75000 0.85472 0.38462 1.00000
Ni8 Ni 0.25000 0.14528 0.61538 1.00000
Ni9 Ni 0.25000 0.06993 0.29282 1.00000
Ni10 Ni 0.75000 0.93007 0.70718 1.00000
Ni11 Ni 0.75000 0.56993 0.20718 1.00000
Ni12 Ni 0.25000 0.43007 0.79282 1.00000
Ni13 Ni 0.75000 0.63468 0.50577 1.00000
Ni14 Ni 0.25000 0.36532 0.49423 1.00000
Ni15 Ni 0.25000 0.81306 0.80066 1.00000
Ni16 Ni 0.75000 0.18694 0.19934 1.00000
Ni17 Ni 0.75000 0.31306 0.69934 1.00000
Ni18 Ni 0.25000 0.68694 0.30066 1.00000
Ni19 Ni 0.25000 0.88595 0.51562 1.00000
Ni20 Ni 0.75000 0.86532 0.00577 1.00000
