DyNiH4
Alexandria ALEXAlex-ID: agm002280286 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_9_spg63
DyNiH4
2019-01-04 17:57:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002280286).
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 agm002280286
data_agm002280286
_cell_length_a 3.65105
_cell_length_b 4.70298
_cell_length_c 6.00945
_cell_angle_alpha 90.00003
_cell_angle_beta 107.83720
_cell_angle_gamma 90.00000
_cell_volume 98.22716
_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
Ni1 Ni 0.40805 0.29142 0.80717 1.00000
Ni2 Ni 0.59195 0.79142 0.19282 1.00000
H1 H 0.30594 0.03792 0.61299 1.00000
H2 H 0.69406 0.53792 0.38701 1.00000
H3 H 0.30598 0.54510 0.61305 1.00000
H4 H 0.69402 0.04510 0.38695 1.00000
H5 H 0.08714 0.79152 0.17167 1.00000
H6 H 0.91287 0.29152 0.82833 1.00000
H7 H 0.50002 0.04151 0.00005 1.00000
H8 H 0.49998 0.54151 0.99995 1.00000
Dy1 Dy 0.13274 0.29152 0.26512 1.00000
Dy2 Dy 0.86726 0.79152 0.73488 1.00000
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