YInF7
Alexandria ALEXAlex-ID: agm024189257 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_289_spg11
YF5 YInF6 InF3
2025-03-04 17:33:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024189257).
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 agm024189257
data_agm024189257
_cell_length_a 6.11041
_cell_length_b 9.30231
_cell_length_c 10.98463
_cell_angle_alpha 106.94255
_cell_angle_beta 89.50859
_cell_angle_gamma 90.46531
_cell_volume 597.24523
_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 0.25003 0.94976 0.74336 1.00000
Y2 Y 0.74997 0.05024 0.25664 1.00000
Y3 Y 0.75002 0.55025 0.75668 1.00000
Y4 Y 0.24998 0.44975 0.24332 1.00000
In1 In 0.74940 0.22051 0.95538 1.00000
In2 In 0.25060 0.77949 0.04462 1.00000
In3 In 0.25064 0.27948 0.54461 1.00000
In4 In 0.74936 0.72052 0.45539 1.00000
F1 F 0.98858 0.84443 0.59092 1.00000
F2 F 0.01142 0.15557 0.40908 1.00000
F3 F 0.51437 0.67252 0.91846 1.00000
F4 F 0.48563 0.32748 0.08154 1.00000
F5 F 0.52133 0.10190 0.82352 1.00000
F6 F 0.47867 0.89810 0.17648 1.00000
F7 F 0.00093 0.38536 0.66755 1.00000
F8 F 0.99907 0.61464 0.33245 1.00000
F9 F 0.99909 0.11466 0.83244 1.00000
F10 F 0.00091 0.88534 0.16756 1.00000
F11 F 0.47870 0.39811 0.67651 1.00000
F12 F 0.52130 0.60189 0.32349 1.00000
F13 F 0.74473 0.40616 0.88803 1.00000
F14 F 0.25527 0.59384 0.11197 1.00000
F15 F 0.25524 0.09382 0.61197 1.00000
F16 F 0.74476 0.90618 0.38803 1.00000
F17 F 0.01142 0.65558 0.90913 1.00000
F18 F 0.98858 0.34442 0.09087 1.00000
F19 F 0.48555 0.82747 0.58151 1.00000
F20 F 0.51445 0.17253 0.41849 1.00000
F21 F 0.75096 0.56237 0.55542 1.00000
F22 F 0.24904 0.43763 0.44458 1.00000
F23 F 0.24903 0.93760 0.94457 1.00000
F24 F 0.75097 0.06240 0.05543 1.00000
F25 F 0.50002 0.75001 0.75001 1.00000
F26 F 0.49998 0.24999 0.24999 1.00000
F27 F 0.99999 0.75000 0.75000 1.00000
F28 F 0.00001 0.25000 0.25000 1.00000
