ZrGa(H4Os)2
Alexandria ALEXAlex-ID: agm007448690 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1200_spg2
Zr4H15 Ga3Os Os H2
2025-05-28 05:03:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007448690).
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 agm007448690
data_agm007448690
_cell_length_a 4.56749
_cell_length_b 4.57758
_cell_length_c 6.91182
_cell_angle_alpha 121.58650
_cell_angle_beta 71.79856
_cell_angle_gamma 115.99799
_cell_volume 109.99799
_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
Zr1 Zr 0.58748 0.96319 0.63778 1.00000
Ga1 Ga 0.12630 0.07981 0.06842 1.00000
H1 H 0.92490 0.73830 0.32551 1.00000
H2 H 0.82375 0.24281 0.95617 1.00000
H3 H 0.12185 0.98045 0.60731 1.00000
H4 H 0.51547 0.74383 0.01665 1.00000
H5 H 0.57287 0.47301 0.64167 1.00000
H6 H 0.49356 0.93483 0.33616 1.00000
H7 H 0.05219 0.41365 0.61781 1.00000
H8 H 0.41930 0.40635 0.32806 1.00000
Os1 Os 0.21083 0.41496 0.80542 1.00000
Os2 Os 0.65150 0.60880 0.15905 1.00000
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