Sm2(ErH3)3
Alexandria ALEXAlex-ID: agm006207366 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_526_spg1
Sm3ErH8 SmEr3H8 Sm
2024-02-02 12:04:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006207366).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006207366
data_agm006207366
_cell_length_a 5.79971
_cell_length_b 5.67254
_cell_length_c 6.96678
_cell_angle_alpha 91.54628
_cell_angle_beta 61.63705
_cell_angle_gamma 117.76682
_cell_volume 172.81470
_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 0.59890 0.79180 0.59976 1.00000
Sm2 Sm 0.40110 0.20820 0.40024 1.00000
Er1 Er 0.15751 0.59901 0.22537 1.00000
Er2 Er 0.00000 0.00000 0.00000 1.00000
Er3 Er 0.84249 0.40099 0.77463 1.00000
H1 H 0.72714 0.46394 0.53203 1.00000
H2 H 0.80402 0.14242 0.30482 1.00000
H3 H 0.50000 1.00000 0.00000 1.00000
H4 H 0.19598 0.85758 0.69518 1.00000
H5 H 0.94473 0.07672 0.70790 1.00000
H6 H 0.05527 0.92329 0.29210 1.00000
H7 H 0.27286 0.53606 0.46797 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 1.00000 1.00000
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