Dy4Tl3(BiH)2
Alexandria ALEXAlex-ID: agm006288932 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_0_spg139
DyTl3 DyH2 DyBi
2024-07-09 14:37:00.681268
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006288932).
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 agm006288932
data_agm006288932
_cell_length_a 12.14146
_cell_length_b 12.14146
_cell_length_c 12.14146
_cell_angle_alpha 156.75219
_cell_angle_beta 156.75219
_cell_angle_gamma 33.11113
_cell_volume 278.59759
_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 0.41570 0.91570 0.50000 1.00000
Dy2 Dy 0.91570 0.41570 0.50000 1.00000
Dy3 Dy 0.08430 0.58430 0.50000 1.00000
Dy4 Dy 0.58430 0.08430 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.18130 0.18130 0.00000 1.00000
Tl3 Tl 0.81870 0.81870 0.00000 1.00000
Bi1 Bi 0.31297 0.31297 0.00000 1.00000
Bi2 Bi 0.68703 0.68703 0.00000 1.00000
H1 H 0.43265 0.43265 0.00000 1.00000
H2 H 0.56735 0.56735 0.00000 1.00000
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