Ac2Dy4Bi3H2
Alexandria ALEXAlex-ID: agm006337663 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_0_spg139
Dy5Bi3 AcBi DyH2 Dy
2024-02-23 19:47:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006337663).
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 agm006337663
data_agm006337663
_cell_length_a 13.40844
_cell_length_b 13.40844
_cell_length_c 13.40844
_cell_angle_alpha 159.15874
_cell_angle_beta 159.15874
_cell_angle_gamma 29.64121
_cell_volume 304.96448
_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 0.30281 0.30281 0.00000 1.00000
Ac2 Ac 0.69719 0.69719 0.00000 1.00000
Dy1 Dy 0.42073 0.92073 0.50000 1.00000
Dy2 Dy 0.92073 0.42073 0.50000 1.00000
Dy3 Dy 0.07927 0.57927 0.50000 1.00000
Dy4 Dy 0.57927 0.07927 0.50000 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Bi2 Bi 0.16664 0.16664 0.00000 1.00000
Bi3 Bi 0.83336 0.83336 0.00000 1.00000
H1 H 0.40620 0.40620 0.00000 1.00000
H2 H 0.59380 0.59380 0.00000 1.00000
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