Pr2Nd(HoS2)3
Alexandria ALEXAlex-ID: agm030808960 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
PrHoS2 PrHo4S5 PrNd2S3
2025-02-26 04:36:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030808960).
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 agm030808960
data_agm030808960
_cell_length_a 8.90506
_cell_length_b 8.90506
_cell_length_c 8.05175
_cell_angle_alpha 77.46755
_cell_angle_beta 102.53245
_cell_angle_gamma 154.33759
_cell_volume 269.58124
_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
Pr1 Pr 0.16426 0.83574 0.83651 1.00000
Pr2 Pr 0.83574 0.16426 0.16349 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.83161 0.16839 0.66744 1.00000
Ho3 Ho 0.16839 0.83161 0.33256 1.00000
S1 S 0.66753 0.33247 0.09937 1.00000
S2 S 0.33410 0.66590 0.42940 1.00000
S3 S 0.33247 0.66753 0.90063 1.00000
S4 S 0.00687 0.99313 0.26593 1.00000
S5 S 0.99313 0.00687 0.73407 1.00000
S6 S 0.66590 0.33410 0.57060 1.00000
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