CeNd2Y5Ho
Alexandria ALEXAlex-ID: agm005176151 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_205_spg140
Nd2Ho7 Y5Ho Ce NdY2
2023-01-19 16:23:17.556095
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176151).
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 agm005176151
data_agm005176151
_cell_length_a 8.61376
_cell_length_b 8.61376
_cell_length_c 9.96218
_cell_angle_alpha 115.61505
_cell_angle_beta 115.61505
_cell_angle_gamma 90.00000
_cell_volume 584.91679
_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
Ce1 Ce 0.25000 0.75000 0.50000 1.00000
Ce2 Ce 0.75000 0.25000 0.50000 1.00000
Nd1 Nd 0.12049 0.37951 0.00000 1.00000
Nd2 Nd 0.62049 0.12049 0.00000 1.00000
Nd3 Nd 0.37951 0.87951 1.00000 1.00000
Nd4 Nd 0.87951 0.62049 0.00000 1.00000
Y1 Y 0.93745 0.43745 0.28177 1.00000
Y2 Y 0.65568 0.15568 0.71823 1.00000
Y3 Y 0.06255 0.56255 0.71823 1.00000
Y4 Y 0.15568 0.06255 0.71823 1.00000
Y5 Y 0.56255 0.65568 0.71823 1.00000
Y6 Y 0.84432 0.93745 0.28177 1.00000
Y7 Y 0.43745 0.34432 0.28177 1.00000
Y8 Y 0.34432 0.84432 0.28177 1.00000
Y9 Y 0.50000 0.50000 0.00000 1.00000
Y10 Y 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.25000 0.25000 0.50000 1.00000
Ho2 Ho 0.75000 0.75000 0.50000 1.00000
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