YU3F15
Alexandria ALEXAlex-ID: agm022536588 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C15_4_spg15
YU3F15
2025-01-07 23:39:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022536588).
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 agm022536588
data_agm022536588
_cell_length_a 8.64388
_cell_length_b 8.64388
_cell_length_c 8.67338
_cell_angle_alpha 79.50702
_cell_angle_beta 100.49298
_cell_angle_gamma 79.91987
_cell_volume 611.85450
_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 0.32302 0.32302 0.75000 1.00000
Y2 Y 0.67698 0.67698 0.25000 1.00000
U1 U 0.75051 0.75051 0.75000 1.00000
U2 U 0.24949 0.24949 0.25000 1.00000
U3 U 0.17840 0.74546 0.32516 1.00000
U4 U 0.74546 0.17840 0.17484 1.00000
U5 U 0.82160 0.25454 0.67484 1.00000
U6 U 0.25454 0.82160 0.82516 1.00000
F1 F 0.84543 0.17964 0.94537 1.00000
F2 F 0.31528 0.55437 0.84344 1.00000
F3 F 0.94743 0.65876 0.31320 1.00000
F4 F 0.34124 0.05257 0.81320 1.00000
F5 F 0.44563 0.68472 0.34344 1.00000
F6 F 0.82036 0.15457 0.44537 1.00000
F7 F 0.15457 0.82036 0.05463 1.00000
F8 F 0.68472 0.44563 0.15656 1.00000
F9 F 0.05257 0.34124 0.68680 1.00000
F10 F 0.65876 0.94743 0.18680 1.00000
F11 F 0.55437 0.31528 0.65656 1.00000
F12 F 0.17964 0.84543 0.55463 1.00000
F13 F 0.03066 0.03066 0.75000 1.00000
F14 F 0.46650 0.75027 0.03461 1.00000
F15 F 0.75027 0.46650 0.46539 1.00000
F16 F 0.53350 0.24973 0.96539 1.00000
F17 F 0.24973 0.53350 0.53461 1.00000
F18 F 0.96934 0.96934 0.25000 1.00000
F19 F 0.77618 0.72460 0.00506 1.00000
F20 F 0.77847 0.48907 0.78491 1.00000
F21 F 0.01084 0.71722 0.78178 1.00000
F22 F 0.28278 0.98916 0.28178 1.00000
F23 F 0.51093 0.22153 0.28491 1.00000
F24 F 0.27540 0.22382 0.50506 1.00000
F25 F 0.22382 0.27540 0.99494 1.00000
F26 F 0.22153 0.51093 0.21509 1.00000
F27 F 0.98916 0.28278 0.21822 1.00000
F28 F 0.71722 0.01084 0.71822 1.00000
F29 F 0.48907 0.77847 0.71509 1.00000
F30 F 0.72460 0.77618 0.49494 1.00000
