Nd12Sm2Y
Alexandria ALEXAlex-ID: agm005771980 · Space group: Cmme (#67)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_71_spg67
Nd3Sm5 Nd4SmY Nd
2023-07-18 13:03:56.038664
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771980).
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 agm005771980
data_agm005771980
_cell_length_a 6.87567
_cell_length_b 6.87567
_cell_length_c 25.17750
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 116.49685
_cell_volume 1065.23704
_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 0.80094 1.00000
Nd2 Nd 0.00000 0.00000 0.80094 1.00000
Nd3 Nd 0.75166 0.74834 0.92530 1.00000
Nd4 Nd 0.25178 0.75178 0.87108 1.00000
Nd5 Nd 0.00000 0.00000 0.32579 1.00000
Nd6 Nd 0.24822 0.74822 0.12892 1.00000
Nd7 Nd 0.77038 0.27038 0.58313 1.00000
Nd8 Nd 0.50000 0.50000 0.32579 1.00000
Nd9 Nd 0.24834 0.25166 0.92530 1.00000
Nd10 Nd 0.74834 0.75166 0.07470 1.00000
Nd11 Nd 0.27445 0.22555 0.55995 1.00000
Nd12 Nd 0.72962 0.22962 0.41687 1.00000
Nd13 Nd 1.00000 1.00000 0.67421 1.00000
Nd14 Nd 0.22555 0.27445 0.44005 1.00000
Nd15 Nd 0.25166 0.24834 0.07470 1.00000
Nd16 Nd 0.77445 0.72555 0.44005 1.00000
Nd17 Nd 0.72555 0.77445 0.55995 1.00000
Nd18 Nd 1.00000 1.00000 0.19906 1.00000
Nd19 Nd 0.22962 0.72962 0.58313 1.00000
Nd20 Nd 0.50000 0.50000 0.67421 1.00000
Nd21 Nd 0.74822 0.24822 0.87108 1.00000
Nd22 Nd 0.50000 0.50000 0.19906 1.00000
Nd23 Nd 0.27038 0.77038 0.41687 1.00000
Nd24 Nd 0.75178 0.25178 0.12892 1.00000
Sm1 Sm 0.50000 0.00000 0.26714 1.00000
Sm2 Sm 0.00000 0.50000 0.27287 1.00000
Sm3 Sm 1.00000 0.50000 0.73286 1.00000
Sm4 Sm 0.50000 1.00000 0.72713 1.00000
Y1 Y 0.50000 1.00000 0.99937 1.00000
Y2 Y 0.00000 0.50000 0.00063 1.00000
