Ac2Nd2Zn
Alexandria ALEXAlex-ID: agm035458114 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_310_spg139
Nd2Zn Ac
2025-04-14 13:55:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035458114).
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 agm035458114
data_agm035458114
_cell_length_a 3.82420
_cell_length_b 3.82420
_cell_length_c 12.18102
_cell_angle_alpha 80.95488
_cell_angle_beta 99.04512
_cell_angle_gamma 90.01284
_cell_volume 173.68409
_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 0.81193 0.18807 0.12364 1.00000
Ac2 Ac 0.18807 0.81193 0.87636 1.00000
Nd1 Nd 0.57338 0.42662 0.64710 1.00000
Nd2 Nd 0.42662 0.57338 0.35290 1.00000
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
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