Pm2Y4S9
Alexandria ALEXAlex-ID: agm005641523 · Space group: P-3c1 (#165)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_0_spg9
Pm(YS2)3 PmYS3
2023-06-15 12:56:49.354707
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641523).
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 agm005641523
data_agm005641523
_cell_length_a 6.99298
_cell_length_b 6.99249
_cell_length_c 18.65277
_cell_angle_alpha 89.99841
_cell_angle_beta 89.99840
_cell_angle_gamma 59.99744
_cell_volume 789.87271
_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 0.99981 0.99996 0.35334 1.00000
Pm2 Pm 0.99980 0.00002 0.14666 1.00000
Pm3 Pm 0.00019 0.00004 0.64666 1.00000
Pm4 Pm 0.00020 0.99998 0.85334 1.00000
Y1 Y 0.33338 0.33335 0.98415 1.00000
Y2 Y 0.33328 0.33335 0.48416 1.00000
Y3 Y 0.66662 0.66665 0.01585 1.00000
Y4 Y 0.33310 0.33333 0.18475 1.00000
Y5 Y 0.66672 0.66665 0.51584 1.00000
Y6 Y 0.66645 0.66664 0.31527 1.00000
Y7 Y 0.33355 0.33336 0.68473 1.00000
Y8 Y 0.66690 0.66667 0.81525 1.00000
S1 S 0.00028 0.30421 0.75002 1.00000
S2 S 0.30445 0.69579 0.74999 1.00000
S3 S 0.69601 0.00004 0.75000 1.00000
S4 S 0.99972 0.69579 0.24998 1.00000
S5 S 0.69555 0.30421 0.25001 1.00000
S6 S 0.30399 0.99996 0.25000 1.00000
S7 S 0.65514 0.96926 0.41632 1.00000
S8 S 0.96920 0.37537 0.41634 1.00000
S9 S 0.37529 0.65541 0.41638 1.00000
S10 S 0.62440 0.03076 0.08368 1.00000
S11 S 0.34460 0.62458 0.08367 1.00000
S12 S 0.03074 0.34457 0.08362 1.00000
S13 S 0.34486 0.03074 0.58368 1.00000
S14 S 0.03080 0.62463 0.58366 1.00000
S15 S 0.62471 0.34459 0.58362 1.00000
S16 S 0.37560 0.96924 0.91632 1.00000
S17 S 0.65540 0.37542 0.91633 1.00000
S18 S 0.96926 0.65543 0.91638 1.00000
