NbCr(H4Os)2
Alexandria ALEXAlex-ID: agm007618010 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1116_spg2
CrH NbH2 Os H2
2025-04-29 18:26:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007618010).
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 agm007618010
data_agm007618010
_cell_length_a 4.69203
_cell_length_b 4.93598
_cell_length_c 5.05852
_cell_angle_alpha 86.91072
_cell_angle_beta 62.40584
_cell_angle_gamma 61.62104
_cell_volume 89.24935
_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
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
H1 H 0.47735 0.20288 0.33965 1.00000
H2 H 0.97987 0.20320 0.33969 1.00000
H3 H 0.52265 0.79712 0.66035 1.00000
H4 H 0.47172 0.79153 0.26275 1.00000
H5 H 0.52828 0.20847 0.73725 1.00000
H6 H 0.96728 0.74794 0.31695 1.00000
H7 H 0.03272 0.25206 0.68305 1.00000
H8 H 0.02013 0.79680 0.66031 1.00000
Os1 Os 0.25426 0.37785 0.11387 1.00000
Os2 Os 0.74574 0.62215 0.88613 1.00000
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