CrS15
Alexandria ALEXAlex-ID: agm058545792 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB15_15_spg1
CrS15
2024-09-13 13:07:29.632145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm058545792).
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
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# CIF generated by HEAS from Alexandria entry agm058545792
data_agm058545792
_cell_length_a 7.29483
_cell_length_b 8.52562
_cell_length_c 8.78388
_cell_angle_alpha 95.23578
_cell_angle_beta 89.17444
_cell_angle_gamma 73.52429
_cell_volume 521.21435
_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
Cr1 Cr 0.41487 0.09274 0.99200 1.00000
S1 S 0.42011 0.82728 0.90232 1.00000
S2 S 0.41861 0.17364 0.73120 1.00000
S3 S 0.58705 0.37357 0.33296 1.00000
S4 S 0.09095 0.20934 0.94547 1.00000
S5 S 0.75221 0.68664 0.15532 1.00000
S6 S 0.83495 0.98720 0.51915 1.00000
S7 S 0.37697 0.06437 0.24807 1.00000
S8 S 0.77388 0.00535 0.96149 1.00000
S9 S 0.91371 0.14511 0.09479 1.00000
S10 S 0.61907 0.92387 0.58264 1.00000
S11 S 0.88834 0.74265 0.98208 1.00000
S12 S 0.48219 0.47625 0.54796 1.00000
S13 S 0.47542 0.67387 0.06701 1.00000
S14 S 0.35370 0.30394 0.22792 1.00000
S15 S 0.59796 0.31419 0.70960 1.00000
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