Sr(Y2H)4
Alexandria ALEXAlex-ID: agm098121998 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_353_spg12
YH2 Sr Y
2025-06-16 00:28:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098121998).
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 agm098121998
data_agm098121998
_cell_length_a 3.56199
_cell_length_b 9.99410
_cell_length_c 9.85629
_cell_angle_alpha 118.42727
_cell_angle_beta 90.00073
_cell_angle_gamma 89.99789
_cell_volume 308.56575
_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
Sr1 Sr 0.73019 0.02311 0.04531 1.00000
Y1 Y 0.23042 0.00538 0.38009 1.00000
Y2 Y 0.23098 0.38294 0.07580 1.00000
Y3 Y 0.23122 0.35130 0.72049 1.00000
Y4 Y 0.23069 0.69196 0.69146 1.00000
Y5 Y 0.73094 0.36441 0.41195 1.00000
Y6 Y 0.73070 0.68969 0.37720 1.00000
Y7 Y 0.73122 0.65560 0.01605 1.00000
Y8 Y 0.73047 0.01883 0.70173 1.00000
H1 H 0.23044 0.95693 0.82244 1.00000
H2 H 0.73148 0.39735 0.90697 1.00000
H3 H 0.23082 0.53085 0.39745 1.00000
H4 H 0.73042 0.93164 0.45306 1.00000
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