Pm3(PrS2)2
Alexandria ALEXAlex-ID: agm005689270 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
PmPr3S4 Pm4PrS5 Pr
2023-06-29 01:59:19.846205
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689270).
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 agm005689270
data_agm005689270
_cell_length_a 4.04042
_cell_length_b 7.00198
_cell_length_c 9.02176
_cell_angle_alpha 74.60673
_cell_angle_beta 77.06024
_cell_angle_gamma 73.23063
_cell_volume 232.59252
_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 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.20429 0.39492 0.19650 1.00000
Pm3 Pm 0.79571 0.60508 0.80350 1.00000
Pr1 Pr 0.60101 0.19579 0.60220 1.00000
Pr2 Pr 0.39899 0.80421 0.39780 1.00000
S1 S 0.79954 0.10273 0.29818 1.00000
S2 S 0.20046 0.89727 0.70182 1.00000
S3 S 0.39799 0.30238 0.90165 1.00000
S4 S 0.60201 0.69762 0.09835 1.00000
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