Ac6NdHo2
Alexandria ALEXAlex-ID: agm005656779 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1749_spg15
NdHo2 Ac
2023-07-08 23:08:57.555597
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656779).
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 agm005656779
data_agm005656779
_cell_length_a 10.09205
_cell_length_b 12.66940
_cell_length_c 12.66941
_cell_angle_alpha 43.93474
_cell_angle_beta 46.64444
_cell_angle_gamma 46.64444
_cell_volume 755.64891
_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 0.59225 0.68554 0.55467 1.00000
Ac2 Ac 0.90775 0.44533 0.31446 1.00000
Ac3 Ac 0.40775 0.31446 0.44533 1.00000
Ac4 Ac 0.09225 0.55467 0.68554 1.00000
Ac5 Ac 0.92574 0.90371 0.29759 1.00000
Ac6 Ac 0.57426 0.70241 0.09629 1.00000
Ac7 Ac 0.07426 0.09629 0.70241 1.00000
Ac8 Ac 0.42574 0.29759 0.90371 1.00000
Ac9 Ac 0.25386 0.64414 0.08378 1.00000
Ac10 Ac 0.24614 0.91622 0.35586 1.00000
Ac11 Ac 0.74614 0.35586 0.91622 1.00000
Ac12 Ac 0.75386 0.08378 0.64414 1.00000
Nd1 Nd 0.25000 0.10051 0.89949 1.00000
Nd2 Nd 0.75000 0.89949 0.10051 1.00000
Ho1 Ho 0.08478 0.70380 0.85953 1.00000
Ho2 Ho 0.41522 0.14047 0.29620 1.00000
Ho3 Ho 0.91522 0.29620 0.14047 1.00000
Ho4 Ho 0.58478 0.85953 0.70380 1.00000
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