Y7PtSe5
Alexandria ALEXAlex-ID: agm006073545 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_26_spg63
Y6PtSe5 Y3Pt YSe
2023-08-09 13:14:45.167308
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006073545).
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 agm006073545
data_agm006073545
_cell_length_a 3.98257
_cell_length_b 7.00125
_cell_length_c 24.39522
_cell_angle_alpha 90.00480
_cell_angle_beta 90.00000
_cell_angle_gamma 106.52411
_cell_volume 652.11800
_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
Y1 Y 0.45830 0.91659 0.24998 1.00000
Y2 Y 0.54226 0.08453 0.74997 1.00000
Y3 Y 0.63906 0.27811 0.03825 1.00000
Y4 Y 0.36196 0.72392 0.96181 1.00000
Y5 Y 0.36151 0.72302 0.53822 1.00000
Y6 Y 0.63862 0.27723 0.46182 1.00000
Y7 Y 0.20250 0.40501 0.18076 1.00000
Y8 Y 0.79845 0.59690 0.81927 1.00000
Y9 Y 0.79812 0.59623 0.68073 1.00000
Y10 Y 0.20206 0.40413 0.31929 1.00000
Y11 Y 0.91144 0.82289 0.11550 1.00000
Y12 Y 0.08971 0.17942 0.88426 1.00000
Y13 Y 0.08915 0.17830 0.61548 1.00000
Y14 Y 0.91085 0.82171 0.38430 1.00000
Pt1 Pt 0.80472 0.60945 0.25021 1.00000
Pt2 Pt 0.19584 0.39168 0.75013 1.00000
Se1 Se 0.00058 0.00116 0.99994 1.00000
Se2 Se 0.72125 0.44250 0.92901 1.00000
Se3 Se 0.27973 0.55946 0.07102 1.00000
Se4 Se 0.55530 0.11061 0.35576 1.00000
Se5 Se 0.44488 0.88976 0.64427 1.00000
Se6 Se 0.00000 0.00000 0.49994 1.00000
Se7 Se 0.27930 0.55859 0.42901 1.00000
Se8 Se 0.72086 0.44172 0.57102 1.00000
Se9 Se 0.44523 0.89046 0.85574 1.00000
Se10 Se 0.55572 0.11144 0.14430 1.00000
