Y2BiC
Alexandria ALEXAlex-ID: agm005686699 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7399_spg62
Y5Bi3C Y4C7 YBi
2023-07-11 21:09:26.011430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686699).
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 agm005686699
data_agm005686699
_cell_length_a 4.83789
_cell_length_b 6.88010
_cell_length_c 11.10076
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 369.49071
_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 0.15228 0.55145 1.00000
Y2 Y 0.25000 0.34772 0.05145 1.00000
Y3 Y 0.25000 0.84772 0.44855 1.00000
Y4 Y 0.75000 0.65228 0.94855 1.00000
Y5 Y 0.75000 0.59020 0.27069 1.00000
Y6 Y 0.25000 0.90980 0.77069 1.00000
Y7 Y 0.25000 0.40980 0.72931 1.00000
Y8 Y 0.75000 0.09020 0.22931 1.00000
Bi1 Bi 0.75000 0.66655 0.62506 1.00000
Bi2 Bi 0.25000 0.83345 0.12506 1.00000
Bi3 Bi 0.25000 0.33345 0.37494 1.00000
Bi4 Bi 0.75000 0.16655 0.87494 1.00000
C1 C 0.75000 0.88287 0.40157 1.00000
C2 C 0.25000 0.61713 0.90157 1.00000
C3 C 0.25000 0.11713 0.59843 1.00000
C4 C 0.75000 0.38287 0.09843 1.00000
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