Nd(TmZn3)2
Alexandria ALEXAlex-ID: agm005617366 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_302_spg191
NdZn2 TmZn2
2023-07-10 16:56:31.914575
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005617366).
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 agm005617366
data_agm005617366
_cell_length_a 3.49466
_cell_length_b 7.77903
_cell_length_c 7.77948
_cell_angle_alpha 119.99809
_cell_angle_beta 89.97312
_cell_angle_gamma 90.00000
_cell_volume 183.15558
_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 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.00018 0.33335 0.66670 1.00000
Tm2 Tm 0.99982 0.66665 0.33330 1.00000
Zn1 Zn 0.49945 0.33737 0.33737 1.00000
Zn2 Zn 0.50055 0.66263 0.66263 1.00000
Zn3 Zn 0.50055 0.00000 0.66263 1.00000
Zn4 Zn 0.50000 0.66263 1.00000 1.00000
Zn5 Zn 0.50000 0.33737 1.00000 1.00000
Zn6 Zn 0.49945 1.00000 0.33737 1.00000
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