DyCrH6
Alexandria ALEXAlex-ID: agm079226927 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_2201_spg1
CrH DyH3 H2
2025-06-25 18:56:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079226927).
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 agm079226927
data_agm079226927
_cell_length_a 3.55684
_cell_length_b 3.55684
_cell_length_c 4.94720
_cell_angle_alpha 81.87404
_cell_angle_beta 98.12596
_cell_angle_gamma 93.16408
_cell_volume 61.29750
_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 0.43305 0.56695 0.37335 1.00000
Cr1 Cr 0.82490 0.17510 0.92859 1.00000
H1 H 0.52516 0.02775 0.62350 1.00000
H2 H 0.50822 0.49178 0.80681 1.00000
H3 H 0.94569 0.05431 0.28845 1.00000
H4 H 0.90515 0.62306 0.04915 1.00000
H5 H 0.97225 0.47484 0.62350 1.00000
H6 H 0.37694 0.09485 0.04915 1.00000
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