Pm4S3F4
Alexandria ALEXAlex-ID: agm003377586 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_71_spg71
PmSF PmS PmF3
2022-02-09 02:29:43.212597
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003377586).
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 agm003377586
data_agm003377586
_cell_length_a 3.73825
_cell_length_b 7.69884
_cell_length_c 8.04120
_cell_angle_alpha 118.60135
_cell_angle_beta 103.44098
_cell_angle_gamma 90.00000
_cell_volume 195.93621
_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 0.23325 0.73325 0.46650 1.00000
Pm2 Pm 0.76675 0.26675 0.53350 1.00000
Pm3 Pm 0.50000 0.77873 1.00000 1.00000
Pm4 Pm 0.50000 0.22127 0.00000 1.00000
S1 S 0.11299 0.11299 0.22597 1.00000
S2 S 0.88701 0.88701 0.77403 1.00000
S3 S 0.00000 0.50000 0.00000 1.00000
F1 F 0.31981 0.13112 0.63962 1.00000
F2 F 0.68019 0.49150 0.36038 1.00000
F3 F 0.68019 0.86888 0.36038 1.00000
F4 F 0.31981 0.50850 0.63962 1.00000
Get direct link