Pm2Pr(YS2)3
Alexandria ALEXAlex-ID: agm034995913 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_376_spg12
PrY4S5 Pm4PrS5 Pm4YS5
2025-03-09 08:19:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034995913).
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 agm034995913
data_agm034995913
_cell_length_a 8.93088
_cell_length_b 8.93088
_cell_length_c 8.01245
_cell_angle_alpha 76.49277
_cell_angle_beta 103.50723
_cell_angle_gamma 154.29609
_cell_volume 269.10959
_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
Pm1 Pm 0.83350 0.16650 0.66718 1.00000
Pm2 Pm 0.16650 0.83350 0.33282 1.00000
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.83399 0.16601 0.16685 1.00000
Y3 Y 0.16601 0.83399 0.83315 1.00000
S1 S 0.32911 0.67089 0.92220 1.00000
S2 S 0.66427 0.33573 0.58939 1.00000
S3 S 0.67089 0.32911 0.07780 1.00000
S4 S 0.99769 0.00231 0.26055 1.00000
S5 S 0.00231 0.99769 0.73945 1.00000
S6 S 0.33573 0.66427 0.41061 1.00000
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