CaSm2Eu9
Alexandria ALEXAlex-ID: agm101686331 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_576_spg1
Ca Sm Eu
2025-05-19 06:48:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101686331).
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 agm101686331
data_agm101686331
_cell_length_a 12.27916
_cell_length_b 12.27916
_cell_length_c 3.75583
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.99629
_cell_volume 490.44473
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.33323 0.66677 0.00000 1.00000
Sm2 Sm 0.66677 0.33323 0.00000 1.00000
Eu1 Eu 0.17690 0.82310 0.50000 1.00000
Eu2 Eu 0.00000 0.50000 0.00000 1.00000
Eu3 Eu 0.50000 0.50000 0.00000 1.00000
Eu4 Eu 0.17716 0.35428 0.50000 1.00000
Eu5 Eu 0.82310 0.17690 0.50000 1.00000
Eu6 Eu 0.35428 0.17716 0.50000 1.00000
Eu7 Eu 0.82284 0.64572 0.50000 1.00000
Eu8 Eu 0.50000 0.00000 0.00000 1.00000
Eu9 Eu 0.64572 0.82284 0.50000 1.00000
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