Y2NiH4(SO6)2
Alexandria ALEXAlex-ID: agm006291317 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4E12_15_spg14
YNiH3SO7 YHO2 Y2(SO4)3 H2O
2025-03-29 08:01:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006291317).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006291317
data_agm006291317
_cell_length_a 6.46076
_cell_length_b 6.74025
_cell_length_c 10.98386
_cell_angle_alpha 90.00000
_cell_angle_beta 101.90554
_cell_angle_gamma 90.00000
_cell_volume 468.02667
_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
Y1 Y 0.92216 0.00204 0.68236 1.00000
Y2 Y 0.07784 0.50204 0.81764 1.00000
Y3 Y 0.07784 0.99796 0.31764 1.00000
Y4 Y 0.92216 0.49796 0.18236 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.00000 0.50000 0.50000 1.00000
H1 H 0.22615 0.76501 0.13460 1.00000
H2 H 0.77385 0.26501 0.36540 1.00000
H3 H 0.77385 0.23499 0.86540 1.00000
H4 H 0.22615 0.73499 0.63460 1.00000
H5 H 0.26495 0.87960 0.88899 1.00000
H6 H 0.73505 0.37960 0.61101 1.00000
H7 H 0.73505 0.12040 0.11101 1.00000
H8 H 0.26495 0.62040 0.38899 1.00000
S1 S 0.34601 0.18318 0.62785 1.00000
S2 S 0.65399 0.68318 0.87215 1.00000
S3 S 0.65399 0.81682 0.37215 1.00000
S4 S 0.34601 0.31682 0.12785 1.00000
O1 O 0.08396 0.80460 0.14154 1.00000
O2 O 0.91604 0.30460 0.35846 1.00000
O3 O 0.91604 0.19540 0.85846 1.00000
O4 O 0.08396 0.69540 0.64154 1.00000
O5 O 0.11540 0.84331 0.87274 1.00000
O6 O 0.88460 0.34331 0.62726 1.00000
O7 O 0.88460 0.15669 0.12726 1.00000
O8 O 0.11540 0.65669 0.37274 1.00000
O9 O 0.25731 0.19790 0.74503 1.00000
O10 O 0.74269 0.69790 0.75497 1.00000
O11 O 0.74269 0.80210 0.25497 1.00000
O12 O 0.25731 0.30210 0.24503 1.00000
O13 O 0.19849 0.04166 0.54593 1.00000
O14 O 0.80151 0.54166 0.95407 1.00000
O15 O 0.80151 0.95834 0.45407 1.00000
O16 O 0.19849 0.45834 0.04593 1.00000
O17 O 0.55890 0.09614 0.65808 1.00000
O18 O 0.44110 0.59614 0.84192 1.00000
O19 O 0.44110 0.90386 0.34192 1.00000
O20 O 0.55890 0.40386 0.15808 1.00000
O21 O 0.34109 0.37793 0.56660 1.00000
O22 O 0.65891 0.87793 0.93340 1.00000
O23 O 0.65891 0.62207 0.43340 1.00000
O24 O 0.34109 0.12207 0.06660 1.00000
