Nd3(HoTl2)2
Alexandria ALEXAlex-ID: agm005667918 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1192_spg164
Nd2Ho3Tl4 Nd5Tl3 NdTl
2023-06-30 20:41:09.666880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667918).
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 agm005667918
data_agm005667918
_cell_length_a 5.38961
_cell_length_b 5.39018
_cell_length_c 10.52364
_cell_angle_alpha 89.98739
_cell_angle_beta 89.99852
_cell_angle_gamma 60.00471
_cell_volume 264.77520
_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 0.33325 0.33352 0.42056 1.00000
Nd2 Nd 0.00000 0.00000 0.00000 1.00000
Nd3 Nd 0.66675 0.66648 0.57944 1.00000
Ho1 Ho 0.33340 0.33317 0.77886 1.00000
Ho2 Ho 0.66660 0.66683 0.22114 1.00000
Tl1 Tl 0.66675 0.66648 0.89840 1.00000
Tl2 Tl 0.99988 0.00027 0.34229 1.00000
Tl3 Tl 0.00012 0.99973 0.65771 1.00000
Tl4 Tl 0.33325 0.33352 0.10160 1.00000
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