NdSm2(YP2)3
Alexandria ALEXAlex-ID: agm043719085 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
Nd3SmP4 NdSm3P4 YP
2025-04-01 16:20:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043719085).
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 agm043719085
data_agm043719085
_cell_length_a 9.10722
_cell_length_b 9.10722
_cell_length_c 8.14195
_cell_angle_alpha 77.06076
_cell_angle_beta 102.93924
_cell_angle_gamma 154.16942
_cell_volume 286.36881
_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
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.16598 0.83402 0.33156 1.00000
Sm2 Sm 0.83402 0.16598 0.66844 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.83232 0.16768 0.16511 1.00000
Y3 Y 0.16768 0.83232 0.83489 1.00000
P1 P 0.33211 0.66789 0.41230 1.00000
P2 P 0.33350 0.66650 0.92065 1.00000
P3 P 0.66789 0.33211 0.58770 1.00000
P4 P 0.00184 0.99816 0.75739 1.00000
P5 P 0.99816 0.00184 0.24261 1.00000
P6 P 0.66650 0.33350 0.07935 1.00000
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