Sm3Dy(ErP3)2
Alexandria ALEXAlex-ID: agm034731053 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
DyErP2 DyEr3P4 SmP
2025-02-28 15:35:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034731053).
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 agm034731053
data_agm034731053
_cell_length_a 9.04111
_cell_length_b 9.04111
_cell_length_c 8.08860
_cell_angle_alpha 77.10136
_cell_angle_beta 102.89864
_cell_angle_gamma 154.14404
_cell_volume 280.68096
_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 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.83338 0.16662 0.16703 1.00000
Sm3 Sm 0.16662 0.83338 0.83297 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Er1 Er 0.83316 0.16684 0.66655 1.00000
Er2 Er 0.16684 0.83316 0.33345 1.00000
P1 P 0.33462 0.66538 0.91176 1.00000
P2 P 0.66860 0.33140 0.57844 1.00000
P3 P 0.66538 0.33462 0.08824 1.00000
P4 P 0.00200 0.99800 0.24698 1.00000
P5 P 0.99800 0.00200 0.75302 1.00000
P6 P 0.33140 0.66860 0.42156 1.00000
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