Pm4PrS7
Alexandria ALEXAlex-ID: agm006073371 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_346_spg8
PmPrS3 Pm5S6 Pm2S3
2023-08-14 18:08:00.236305
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006073371).
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 agm006073371
data_agm006073371
_cell_length_a 3.93697
_cell_length_b 6.96526
_cell_length_c 11.91589
_cell_angle_alpha 104.17780
_cell_angle_beta 90.00000
_cell_angle_gamma 106.41634
_cell_volume 303.04691
_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 0.69983 0.39967 0.81243 1.00000
Pm2 Pm 0.30050 0.60101 0.18815 1.00000
Pm3 Pm 0.00041 0.00083 0.00103 1.00000
Pm4 Pm 0.11173 0.22347 0.41931 1.00000
Pr1 Pr 0.88845 0.77689 0.57979 1.00000
S1 S 0.73909 0.47817 0.34927 1.00000
S2 S 0.25662 0.51324 0.64918 1.00000
S3 S 0.34145 0.68290 0.94970 1.00000
S4 S 0.65947 0.31893 0.05085 1.00000
S5 S 0.04455 0.08911 0.78739 1.00000
S6 S 0.95638 0.91276 0.21499 1.00000
S7 S 0.50151 0.00302 0.49790 1.00000
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