ZrH7Os2
Alexandria ALEXAlex-ID: agm006206341 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_189_spg1
Zr4H15 Os H2
2024-02-23 02:44:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006206341).
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 agm006206341
data_agm006206341
_cell_length_a 4.51741
_cell_length_b 3.60654
_cell_length_c 5.58420
_cell_angle_alpha 89.89345
_cell_angle_beta 84.99877
_cell_angle_gamma 66.40832
_cell_volume 83.00331
_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 0.00000 0.00000 0.00000 1.00000
H1 H 0.00000 0.50000 0.50000 1.00000
H2 H 0.68908 0.65569 0.02959 1.00000
H3 H 0.61062 0.19643 0.29795 1.00000
H4 H 0.38938 0.80357 0.70205 1.00000
H5 H 0.72588 0.13188 0.71312 1.00000
H6 H 0.27412 0.86812 0.28688 1.00000
H7 H 0.31092 0.34431 0.97041 1.00000
Os1 Os 0.66336 0.66973 0.32603 1.00000
Os2 Os 0.33664 0.33027 0.67397 1.00000
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