ScCr(H4Os)2
Alexandria ALEXAlex-ID: agm007165016 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1601_spg2
ScH5Os CrH Os H2
2025-05-29 09:23:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007165016).
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 agm007165016
data_agm007165016
_cell_length_a 4.55749
_cell_length_b 4.55038
_cell_length_c 5.60668
_cell_angle_alpha 89.98044
_cell_angle_beta 89.01786
_cell_angle_gamma 60.05204
_cell_volume 100.72888
_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
Sc1 Sc 0.62517 0.66661 0.36455 1.00000
Cr1 Cr 0.95652 0.00082 0.95962 1.00000
H1 H 0.75979 0.87423 0.68170 1.00000
H2 H 0.08772 0.43616 0.86806 1.00000
H3 H 0.21012 0.37337 0.43698 1.00000
H4 H 0.76024 0.32419 0.68186 1.00000
H5 H 0.11289 0.73551 0.24436 1.00000
H6 H 0.28064 0.83895 0.70066 1.00000
H7 H 0.65982 0.14954 0.30151 1.00000
H8 H 0.11286 0.10946 0.24365 1.00000
Os1 Os 0.63363 0.66235 0.86557 1.00000
Os2 Os 0.30061 0.32881 0.15148 1.00000
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