Pm4S4Br3
Alexandria ALEXAlex-ID: agm003377286 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_71_spg71
PmSBr Pm5S6 PmBr3
2022-02-09 07:11:44.712445
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003377286).
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 agm003377286
data_agm003377286
_cell_length_a 4.17157
_cell_length_b 8.22206
_cell_length_c 9.26883
_cell_angle_alpha 116.32951
_cell_angle_beta 103.00479
_cell_angle_gamma 90.00000
_cell_volume 275.80273
_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 0.23282 0.73282 0.46564 1.00000
Pm2 Pm 0.76718 0.26718 0.53436 1.00000
Pm3 Pm 0.50000 0.77738 0.00000 1.00000
Pm4 Pm 0.50000 0.22262 1.00000 1.00000
S1 S 0.33222 0.13107 0.66445 1.00000
S2 S 0.66778 0.46662 0.33555 1.00000
S3 S 0.66778 0.86893 0.33555 1.00000
S4 S 0.33222 0.53338 0.66445 1.00000
Br1 Br 0.09628 0.09628 0.19257 1.00000
Br2 Br 0.90372 0.90372 0.80743 1.00000
Br3 Br 0.00000 0.50000 0.00000 1.00000
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