Pm2US6
Alexandria ALEXAlex-ID: agm044036178 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_7_spg14
US3 Pm2S3
2025-01-25 07:38:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044036178).
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 agm044036178
data_agm044036178
_cell_length_a 6.64307
_cell_length_b 7.10732
_cell_length_c 11.09036
_cell_angle_alpha 90.00000
_cell_angle_beta 118.73302
_cell_angle_gamma 90.00000
_cell_volume 459.15102
_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 0.82662 0.40246 0.77072 1.00000
Pm2 Pm 0.17338 0.90246 0.72928 1.00000
Pm3 Pm 0.82662 0.09754 0.27072 1.00000
Pm4 Pm 0.17338 0.59754 0.22928 1.00000
U1 U 0.50000 0.50000 0.00000 1.00000
U2 U 0.50000 0.00000 0.50000 1.00000
S1 S 0.42613 0.93385 0.25994 1.00000
S2 S 0.75350 0.70234 0.58492 1.00000
S3 S 0.13697 0.68680 0.94575 1.00000
S4 S 0.86303 0.18680 0.55425 1.00000
S5 S 0.24650 0.20234 0.91508 1.00000
S6 S 0.57387 0.43385 0.24006 1.00000
S7 S 0.57387 0.06615 0.74006 1.00000
S8 S 0.24650 0.29766 0.41508 1.00000
S9 S 0.86303 0.31320 0.05425 1.00000
S10 S 0.13697 0.81320 0.44575 1.00000
S11 S 0.75350 0.79766 0.08492 1.00000
S12 S 0.42613 0.56615 0.75994 1.00000
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