Nd3Y3Ho8
Alexandria ALEXAlex-ID: agm005690159 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_31_spg71
NdY2 Nd2Ho7 Y5Ho
2023-06-29 11:41:35.656494
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690159).
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 agm005690159
data_agm005690159
_cell_length_a 5.65029
_cell_length_b 9.67347
_cell_length_c 9.67347
_cell_angle_alpha 101.38986
_cell_angle_beta 73.01866
_cell_angle_gamma 73.01866
_cell_volume 459.93964
_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 0.00000 0.00000 1.00000
Nd2 Nd 1.00000 0.81591 0.18409 1.00000
Nd3 Nd 0.00000 0.18409 0.81591 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.79730 0.20276 0.20276 1.00000
Y3 Y 0.20270 0.79724 0.79724 1.00000
Ho1 Ho 0.65994 0.11794 0.56188 1.00000
Ho2 Ho 0.34006 0.88206 0.43812 1.00000
Ho3 Ho 0.65994 0.56188 0.11794 1.00000
Ho4 Ho 0.34006 0.43812 0.88206 1.00000
Ho5 Ho 0.84310 0.75990 0.55423 1.00000
Ho6 Ho 0.15690 0.24010 0.44577 1.00000
Ho7 Ho 0.84310 0.55423 0.75990 1.00000
Ho8 Ho 0.15690 0.44577 0.24010 1.00000
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