AcY4Bi5
Alexandria ALEXAlex-ID: agm006126830 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_62_spg12
YBi AcBi
2023-10-18 07:45:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126830).
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
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# CIF generated by HEAS from Alexandria entry agm006126830
data_agm006126830
_cell_length_a 4.56752
_cell_length_b 7.89811
_cell_length_c 10.21561
_cell_angle_alpha 75.08954
_cell_angle_beta 77.08203
_cell_angle_gamma 73.19277
_cell_volume 336.44440
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.59488 0.20689 0.60335 1.00000
Y2 Y 0.20243 0.38753 0.20762 1.00000
Y3 Y 0.79757 0.61247 0.79238 1.00000
Y4 Y 0.40512 0.79311 0.39665 1.00000
Bi1 Bi 0.20484 0.90435 0.68597 1.00000
Bi2 Bi 0.79516 0.09565 0.31403 1.00000
Bi3 Bi 0.38995 0.32589 0.89421 1.00000
Bi4 Bi 0.00000 0.50000 0.50000 1.00000
Bi5 Bi 0.61005 0.67411 0.10579 1.00000
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