Ac2NdY5Ho
Alexandria ALEXAlex-ID: agm005153535 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
Nd2Ho7 Y5Ho Ac NdY2
2023-01-19 17:15:36.267602
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005153535).
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 agm005153535
data_agm005153535
_cell_length_a 5.81435
_cell_length_b 10.50715
_cell_length_c 10.92689
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.06247
_cell_volume 641.48715
_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 0.88500 0.77000 0.81836 1.00000
Ac2 Ac 0.11308 0.22617 0.73127 1.00000
Ac3 Ac 0.11500 0.23000 0.31836 1.00000
Ac4 Ac 0.88692 0.77383 0.23127 1.00000
Nd1 Nd 0.58457 0.16913 0.96143 1.00000
Nd2 Nd 0.41543 0.83087 0.46143 1.00000
Y1 Y 0.38637 0.77273 0.01994 1.00000
Y2 Y 0.71713 0.43425 0.81334 1.00000
Y3 Y 0.48145 0.96290 0.73756 1.00000
Y4 Y 0.29726 0.59453 0.70587 1.00000
Y5 Y 0.98089 0.96177 0.52374 1.00000
Y6 Y 0.61363 0.22727 0.51994 1.00000
Y7 Y 0.28287 0.56575 0.31334 1.00000
Y8 Y 0.51855 0.03710 0.23756 1.00000
Y9 Y 0.70274 0.40547 0.20587 1.00000
Y10 Y 0.01911 0.03823 0.02374 1.00000
Ho1 Ho 0.79662 0.59323 0.51246 1.00000
Ho2 Ho 0.20338 0.40677 0.01246 1.00000
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