Y4CoBi
Alexandria ALEXAlex-ID: agm005804303 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2635_spg62
Y3Co Y5CoBi2
2023-07-28 04:02:08.753030
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804303).
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 agm005804303
data_agm005804303
_cell_length_a 3.91365
_cell_length_b 8.38854
_cell_length_c 19.70591
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 646.94122
_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 0.75000 0.87028 0.64426 1.00000
Y2 Y 0.25000 0.12972 0.35574 1.00000
Y3 Y 0.25000 0.62972 0.14426 1.00000
Y4 Y 0.75000 0.37028 0.85574 1.00000
Y5 Y 0.75000 0.85378 0.45410 1.00000
Y6 Y 0.25000 0.14622 0.54590 1.00000
Y7 Y 0.25000 0.64622 0.95410 1.00000
Y8 Y 0.75000 0.35378 0.04590 1.00000
Y9 Y 0.75000 0.02690 0.93288 1.00000
Y10 Y 0.25000 0.97310 0.06712 1.00000
Y11 Y 0.25000 0.47310 0.43288 1.00000
Y12 Y 0.75000 0.52690 0.56712 1.00000
Y13 Y 0.75000 0.94723 0.21507 1.00000
Y14 Y 0.25000 0.05277 0.78493 1.00000
Y15 Y 0.25000 0.55277 0.71507 1.00000
Y16 Y 0.75000 0.44723 0.28493 1.00000
Co1 Co 0.75000 0.22958 0.44748 1.00000
Co2 Co 0.25000 0.77042 0.55252 1.00000
Co3 Co 0.25000 0.27042 0.94748 1.00000
Co4 Co 0.75000 0.72958 0.05252 1.00000
Bi1 Bi 0.75000 0.75117 0.81470 1.00000
Bi2 Bi 0.25000 0.24883 0.18530 1.00000
Bi3 Bi 0.25000 0.74883 0.31470 1.00000
Bi4 Bi 0.75000 0.25117 0.68530 1.00000
