Sm(CrH3)2
Alexandria ALEXAlex-ID: agm006607366 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3829_spg71
CrH SmH3 H2
2024-05-29 07:12:48.669576
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006607366).
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 agm006607366
data_agm006607366
_cell_length_a 3.70347
_cell_length_b 4.20595
_cell_length_c 6.11239
_cell_angle_alpha 94.41865
_cell_angle_beta 108.77585
_cell_angle_gamma 116.88204
_cell_volume 77.55989
_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
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Cr1 Cr 0.87858 0.67123 0.07406 1.00000
Cr2 Cr 0.12142 0.32877 0.92594 1.00000
H1 H 0.44455 0.74012 0.13855 1.00000
H2 H 0.55545 0.25988 0.86145 1.00000
H3 H 0.70118 0.85972 0.85744 1.00000
H4 H 0.09717 0.80032 0.38885 1.00000
H5 H 0.29882 0.14028 0.14256 1.00000
H6 H 0.90283 0.19968 0.61115 1.00000
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