NaSm2H7
Alexandria ALEXAlex-ID: agm006203379 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_526_spg2
SmH3 NaH
2023-11-23 03:21:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006203379).
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 agm006203379
data_agm006203379
_cell_length_a 5.65485
_cell_length_b 6.51068
_cell_length_c 6.51834
_cell_angle_alpha 146.61017
_cell_angle_beta 64.29001
_cell_angle_gamma 115.74212
_cell_volume 117.73170
_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 0.09195 0.02787 0.32353 1.00000
H2 H 0.74660 0.68363 0.67004 1.00000
H3 H 0.39442 0.49965 0.85153 1.00000
H4 H 0.10523 0.21186 0.14208 1.00000
H5 H 0.58666 0.85575 0.49683 1.00000
H6 H 0.52431 0.18592 0.16733 1.00000
H7 H 0.86462 0.52552 0.82632 1.00000
Sm1 Sm 0.30391 0.66111 0.69178 1.00000
Sm2 Sm 0.69356 0.05037 0.30185 1.00000
Na1 Na 0.92112 0.35570 0.99689 1.00000
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