Dy3Bi3H2
Alexandria ALEXAlex-ID: agm006401976 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_120_spg12
DyBi DyH3 Bi
2024-02-26 20:31:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006401976).
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 agm006401976
data_agm006401976
_cell_length_a 3.58610
_cell_length_b 5.83900
_cell_length_c 10.41864
_cell_angle_alpha 98.49630
_cell_angle_beta 121.23254
_cell_angle_gamma 89.47007
_cell_volume 183.90755
_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
Dy1 Dy 0.98686 0.91863 0.65709 1.00000
Dy2 Dy 0.50000 0.50000 0.00000 1.00000
Dy3 Dy 0.01314 0.08137 0.34291 1.00000
Bi1 Bi 0.53249 0.43303 0.68786 1.00000
Bi2 Bi 0.46751 0.56697 0.31214 1.00000
Bi3 Bi 0.00000 0.00000 0.00000 1.00000
H1 H 0.69871 0.10071 0.46637 1.00000
H2 H 0.30129 0.89929 0.53363 1.00000
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