SmH7C2
Alexandria ALEXAlex-ID: agm006201549 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_946_spg8
H4C SmH2 C
2023-10-28 06:10:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201549).
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 agm006201549
data_agm006201549
_cell_length_a 9.18643
_cell_length_b 9.51753
_cell_length_c 8.58748
_cell_angle_alpha 157.03810
_cell_angle_beta 42.29059
_cell_angle_gamma 116.61503
_cell_volume 90.59355
_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
H1 H 0.80068 0.73420 0.29049 1.00000
H2 H 0.75824 0.00465 0.91087 1.00000
H3 H 0.09600 0.12232 0.99708 1.00000
H4 H 0.32485 0.02687 0.05890 1.00000
H5 H 0.75636 0.27713 0.49270 1.00000
H6 H 0.98596 0.89021 0.26207 1.00000
H7 H 0.57284 0.98546 0.38413 1.00000
C1 C 0.12024 0.43261 0.73537 1.00000
C2 C 0.72453 0.57968 0.76057 1.00000
Sm1 Sm 0.09269 0.00426 0.57597 1.00000
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