CrSnH6Ru
Alexandria ALEXAlex-ID: agm006907948 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_185_spg1
SnH2Ru CrH H2
2024-01-27 23:29:03.053848
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006907948).
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 agm006907948
data_agm006907948
_cell_length_a 5.01406
_cell_length_b 5.01406
_cell_length_c 4.66418
_cell_angle_alpha 89.11405
_cell_angle_beta 89.11405
_cell_angle_gamma 124.86314
_cell_volume 96.16152
_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
Cr1 Cr 0.83893 0.16107 0.00000 1.00000
Sn1 Sn 0.99931 0.00069 0.50000 1.00000
H1 H 0.48212 0.05716 0.77372 1.00000
H2 H 0.94284 0.51788 0.22628 1.00000
H3 H 0.75587 0.73005 0.95402 1.00000
H4 H 0.44224 0.87832 0.20177 1.00000
H5 H 0.26995 0.24413 0.04598 1.00000
H6 H 0.12168 0.55776 0.79823 1.00000
Ru1 Ru 0.14740 0.85260 0.00000 1.00000
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