YCr2SnH6
Alexandria ALEXAlex-ID: agm007688697 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_413_spg2
CrH YH3 Sn SnH2
2024-02-08 19:44:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007688697).
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 agm007688697
data_agm007688697
_cell_length_a 4.45046
_cell_length_b 4.31959
_cell_length_c 6.35801
_cell_angle_alpha 89.76483
_cell_angle_beta 110.91501
_cell_angle_gamma 112.37020
_cell_volume 104.34618
_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
Y1 Y 0.00000 0.50000 0.50000 1.00000
Cr1 Cr 0.42858 0.69234 0.12923 1.00000
Cr2 Cr 0.57142 0.30766 0.87077 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
H1 H 0.34890 0.56180 0.85154 1.00000
H2 H 0.76247 0.93024 0.37107 1.00000
H3 H 0.63106 0.52148 0.66141 1.00000
H4 H 0.65110 0.43820 0.14846 1.00000
H5 H 0.23753 0.06976 0.62893 1.00000
H6 H 0.36894 0.47852 0.33859 1.00000
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