Y10As8Pt3O10
Alexandria ALEXAlex-ID: agm017406350 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8C10D10_0_spg87
YAsPt As2Pt YAs Y2O3
2025-01-22 22:29:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017406350).
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 agm017406350
data_agm017406350
_cell_length_a 8.90863
_cell_length_b 8.90876
_cell_length_c 9.52925
_cell_angle_alpha 117.81518
_cell_angle_beta 117.80821
_cell_angle_gamma 89.99903
_cell_volume 568.29275
_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 0.66809 0.66808 0.33583 1.00000
Y2 Y 0.33191 0.33192 0.66417 1.00000
Y3 Y 0.47316 0.07774 0.35242 1.00000
Y4 Y 0.87959 0.27490 0.35247 1.00000
Y5 Y 0.07780 0.87957 0.35246 1.00000
Y6 Y 0.27492 0.47317 0.35245 1.00000
Y7 Y 0.52684 0.92226 0.64758 1.00000
Y8 Y 0.12041 0.72510 0.64753 1.00000
Y9 Y 0.92220 0.12043 0.64754 1.00000
Y10 Y 0.72508 0.52683 0.64755 1.00000
As1 As 0.24930 0.12337 0.99907 1.00000
As2 As 0.75070 0.87663 0.00093 1.00000
As3 As 0.12392 0.75029 0.00013 1.00000
As4 As 0.87608 0.24971 0.99987 1.00000
As5 As 0.26697 0.40770 0.99991 1.00000
As6 As 0.73303 0.59230 0.00009 1.00000
As7 As 0.40776 0.73294 0.99993 1.00000
As8 As 0.59224 0.26706 0.00007 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.00000 0.50000 0.00000 1.00000
Pt3 Pt 0.50000 0.00000 0.00000 1.00000
O1 O 0.94479 0.84682 0.49288 1.00000
O2 O 0.54811 0.64615 0.49305 1.00000
O3 O 0.84688 0.54813 0.49296 1.00000
O4 O 0.64611 0.94488 0.49295 1.00000
O5 O 0.05521 0.15318 0.50712 1.00000
O6 O 0.45189 0.35385 0.50695 1.00000
O7 O 0.15312 0.45187 0.50704 1.00000
O8 O 0.35389 0.05512 0.50705 1.00000
O9 O 0.74996 0.25001 0.50000 1.00000
O10 O 0.25004 0.74999 0.50000 1.00000
