SmZnH4
Alexandria ALEXAlex-ID: agm006694584 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
ZnH2 SmH3 Zn
2024-02-24 13:55:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006694584).
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 agm006694584
data_agm006694584
_cell_length_a 4.03208
_cell_length_b 5.35733
_cell_length_c 7.01407
_cell_angle_alpha 108.67994
_cell_angle_beta 118.03352
_cell_angle_gamma 82.42751
_cell_volume 126.65883
_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
Sm1 Sm 0.68697 0.72445 0.32880 1.00000
Sm2 Sm 0.31303 0.27555 0.67120 1.00000
Zn1 Zn 0.21433 0.18351 0.12248 1.00000
Zn2 Zn 0.78567 0.81649 0.87752 1.00000
H1 H 0.18285 0.91706 0.37190 1.00000
H2 H 0.32503 0.85071 0.69021 1.00000
H3 H 0.31534 0.39278 0.01610 1.00000
H4 H 0.68466 0.60722 0.98390 1.00000
H5 H 0.83217 0.56415 0.65480 1.00000
H6 H 0.67497 0.14929 0.30979 1.00000
H7 H 0.16783 0.43585 0.34520 1.00000
H8 H 0.81715 0.08294 0.62810 1.00000
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