Nd4YHo7
Alexandria ALEXAlex-ID: agm003665366 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Nd3(YHo2)2 NdHo2
2022-04-20 19:30:19.679671
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003665366).
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 agm003665366
data_agm003665366
_cell_length_a 5.91992
_cell_length_b 11.67409
_cell_length_c 6.75312
_cell_angle_alpha 83.66061
_cell_angle_beta 64.00389
_cell_angle_gamma 75.31234
_cell_volume 405.77890
_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 0.63929 0.22228 0.49914 1.00000
Nd2 Nd 0.36071 0.77772 0.50086 1.00000
Nd3 Nd 0.77429 0.66827 0.78316 1.00000
Nd4 Nd 0.22571 0.33173 0.21684 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.78725 0.92342 0.50208 1.00000
Ho2 Ho 0.21275 0.07658 0.49792 1.00000
Ho3 Ho 0.06736 0.68639 0.17888 1.00000
Ho4 Ho 0.93264 0.31361 0.82112 1.00000
Ho5 Ho 0.36775 0.49550 0.76900 1.00000
Ho6 Ho 0.50000 0.00000 0.00000 1.00000
Ho7 Ho 0.63225 0.50450 0.23100 1.00000
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