YAuF7
Alexandria ALEXAlex-ID: agm024242635 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_7_spg14
AuF5 Y2Au5F21 YF3
2024-09-26 07:12:50.089789
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024242635).
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 agm024242635
data_agm024242635
_cell_length_a 5.70014
_cell_length_b 8.94224
_cell_length_c 12.07967
_cell_angle_alpha 63.66878
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 551.84054
_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 0.25709 0.18799 0.23027 1.00000
Y2 Y 0.74291 0.81201 0.76973 1.00000
Y3 Y 0.75709 0.81201 0.26973 1.00000
Y4 Y 0.24291 0.18799 0.73027 1.00000
Au1 Au 0.75680 0.26992 0.45543 1.00000
Au2 Au 0.24320 0.73008 0.54457 1.00000
Au3 Au 0.25680 0.73008 0.04457 1.00000
Au4 Au 0.74320 0.26992 0.95543 1.00000
F1 F 0.92335 0.29893 0.08473 1.00000
F2 F 0.07665 0.70107 0.91527 1.00000
F3 F 0.42335 0.70107 0.41527 1.00000
F4 F 0.57665 0.29893 0.58473 1.00000
F5 F 0.44047 0.27112 0.35499 1.00000
F6 F 0.55953 0.72888 0.64501 1.00000
F7 F 0.94047 0.72888 0.14501 1.00000
F8 F 0.05953 0.27112 0.85499 1.00000
F9 F 0.93325 0.24699 0.32142 1.00000
F10 F 0.06675 0.75301 0.67858 1.00000
F11 F 0.43325 0.75301 0.17858 1.00000
F12 F 0.56675 0.24699 0.82142 1.00000
F13 F 0.76033 0.51419 0.35625 1.00000
F14 F 0.23967 0.48581 0.64375 1.00000
F15 F 0.26033 0.48581 0.14375 1.00000
F16 F 0.73967 0.51419 0.85625 1.00000
F17 F 0.91446 0.71902 0.45596 1.00000
F18 F 0.08554 0.28098 0.54404 1.00000
F19 F 0.41446 0.28098 0.04404 1.00000
F20 F 0.58554 0.71902 0.95596 1.00000
F21 F 0.74547 0.02568 0.04722 1.00000
F22 F 0.25453 0.97432 0.95278 1.00000
F23 F 0.24547 0.97432 0.45278 1.00000
F24 F 0.75453 0.02568 0.54722 1.00000
F25 F 0.56432 0.02628 0.26292 1.00000
F26 F 0.43568 0.97372 0.73708 1.00000
F27 F 0.06432 0.97372 0.23708 1.00000
F28 F 0.93568 0.02628 0.76292 1.00000
