Ac3NdY2
Alexandria ALEXAlex-ID: agm017690457 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2573_spg12
NdY2 Ac
2025-04-14 14:33:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017690457).
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
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# CIF generated by HEAS from Alexandria entry agm017690457
data_agm017690457
_cell_length_a 10.07731
_cell_length_b 10.07731
_cell_length_c 10.07731
_cell_angle_alpha 148.26554
_cell_angle_beta 119.04916
_cell_angle_gamma 70.36330
_cell_volume 463.93395
_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
Ac1 Ac 0.66984 0.66645 0.00339 1.00000
Ac2 Ac 0.83694 0.33355 0.50339 1.00000
Ac3 Ac 0.00000 0.00000 0.00000 1.00000
Ac4 Ac 0.33016 0.33355 0.99661 1.00000
Ac5 Ac 0.50000 0.00000 0.50000 1.00000
Ac6 Ac 0.16306 0.66645 0.49661 1.00000
Nd1 Nd 0.58306 0.83306 0.75000 1.00000
Nd2 Nd 0.41694 0.16694 0.25000 1.00000
Y1 Y 0.91568 0.16568 0.75000 1.00000
Y2 Y 0.25070 0.50070 0.75000 1.00000
Y3 Y 0.08432 0.83432 0.25000 1.00000
Y4 Y 0.74930 0.49930 0.25000 1.00000
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