Dy4Ho2Tl3H2
Alexandria ALEXAlex-ID: agm004490403 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_39_spg139
Dy2TlH2 Dy9Tl4 Dy3Ho2Tl3 DyHo3H8
2022-06-17 21:13:12.653402
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004490403).
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 agm004490403
data_agm004490403
_cell_length_a 4.72795
_cell_length_b 4.72795
_cell_length_c 12.68537
_cell_angle_alpha 100.74011
_cell_angle_beta 100.74011
_cell_angle_gamma 90.00000
_cell_volume 273.53792
_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 0.41518 0.91518 0.83037 1.00000
Dy2 Dy 0.91518 0.41518 0.83037 1.00000
Dy3 Dy 0.08482 0.58482 0.16963 1.00000
Dy4 Dy 0.58482 0.08482 0.16963 1.00000
Ho1 Ho 0.30228 0.30228 0.60457 1.00000
Ho2 Ho 0.69772 0.69772 0.39543 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.17469 0.17469 0.34939 1.00000
Tl3 Tl 0.82531 0.82531 0.65061 1.00000
H1 H 0.39729 0.39729 0.79458 1.00000
H2 H 0.60271 0.60271 0.20542 1.00000
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