Sm2W2Se2O13
Alexandria ALEXAlex-ID: agm009057653 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C2D13_0_spg2
Sm2WO6 Sm2(SeO3)3 WO3
2025-01-06 09:59:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009057653).
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 agm009057653
data_agm009057653
_cell_length_a 6.65736
_cell_length_b 6.97057
_cell_length_c 11.70714
_cell_angle_alpha 90.26759
_cell_angle_beta 98.07490
_cell_angle_gamma 91.51335
_cell_volume 537.68348
_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
Sm1 Sm 0.79016 0.87629 0.88687 1.00000
Sm2 Sm 0.64393 0.37935 0.36260 1.00000
Sm3 Sm 0.35607 0.62065 0.63740 1.00000
Sm4 Sm 0.20984 0.12371 0.11313 1.00000
W1 W 0.11723 0.63587 0.30500 1.00000
W2 W 0.24861 0.10315 0.81093 1.00000
W3 W 0.88277 0.36413 0.69500 1.00000
W4 W 0.75139 0.89685 0.18907 1.00000
Se1 Se 0.23121 0.57785 0.93799 1.00000
Se2 Se 0.76879 0.42215 0.06201 1.00000
Se3 Se 0.19537 0.20297 0.43099 1.00000
Se4 Se 0.80463 0.79703 0.56901 1.00000
O1 O 0.39835 0.64174 0.84694 1.00000
O2 O 0.18715 0.74779 0.44441 1.00000
O3 O 0.91911 0.15056 0.79339 1.00000
O4 O 0.77838 0.06943 0.30659 1.00000
O5 O 0.15179 0.95266 0.93110 1.00000
O6 O 0.01128 0.42443 0.14681 1.00000
O7 O 0.02164 0.38892 0.37794 1.00000
O8 O 0.60165 0.35826 0.15306 1.00000
O9 O 0.08089 0.84944 0.20661 1.00000
O10 O 0.84821 0.04734 0.06890 1.00000
O11 O 0.25379 0.32264 0.94927 1.00000
O12 O 0.19830 0.33239 0.71255 1.00000
O13 O 0.74621 0.67736 0.05073 1.00000
O14 O 0.61829 0.65510 0.49459 1.00000
O15 O 0.48219 0.91424 0.14196 1.00000
O16 O 0.35816 0.55031 0.27898 1.00000
O17 O 0.67537 0.83686 0.68409 1.00000
O18 O 0.22162 0.93057 0.69341 1.00000
O19 O 0.80170 0.66761 0.28745 1.00000
O20 O 0.38171 0.34490 0.50541 1.00000
O21 O 0.32463 0.16314 0.31591 1.00000
O22 O 0.97836 0.61108 0.62206 1.00000
O23 O 0.64184 0.44969 0.72102 1.00000
O24 O 0.81285 0.25221 0.55559 1.00000
O25 O 0.51781 0.08576 0.85804 1.00000
O26 O 0.98872 0.57557 0.85319 1.00000
