Ac4Sm2Y5
Alexandria ALEXAlex-ID: agm005653972 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_527_spg12
Sm2Y7 SmY2 Ac
2023-06-22 20:03:27.662761
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653972).
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 agm005653972
data_agm005653972
_cell_length_a 5.33114
_cell_length_b 8.26069
_cell_length_c 11.31375
_cell_angle_alpha 122.20862
_cell_angle_beta 103.62726
_cell_angle_gamma 90.00000
_cell_volume 404.89837
_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
Ac1 Ac 0.31818 0.54748 0.63636 1.00000
Ac2 Ac 0.04337 0.35788 0.08674 1.00000
Ac3 Ac 0.68182 0.45252 0.36364 1.00000
Ac4 Ac 0.95663 0.64212 0.91326 1.00000
Sm1 Sm 0.40734 0.26430 0.81468 1.00000
Sm2 Sm 0.59266 0.73570 0.18532 1.00000
Y1 Y 0.77397 0.17336 0.54794 1.00000
Y2 Y 0.22603 0.82664 0.45206 1.00000
Y3 Y 0.86059 0.91423 0.72119 1.00000
Y4 Y 0.50000 0.00000 0.00000 1.00000
Y5 Y 0.13941 0.08577 0.27881 1.00000
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