YPdF7
Alexandria ALEXAlex-ID: agm024183233 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_220_spg14
YPdF7
2025-01-04 05:36:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024183233).
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 agm024183233
data_agm024183233
_cell_length_a 8.85037
_cell_length_b 5.50574
_cell_length_c 11.95407
_cell_angle_alpha 90.00000
_cell_angle_beta 117.48882
_cell_angle_gamma 90.00000
_cell_volume 516.73292
_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 0.81288 0.73699 0.73551 1.00000
Y2 Y 0.18712 0.26301 0.26449 1.00000
Y3 Y 0.18712 0.23699 0.76449 1.00000
Y4 Y 0.81288 0.76301 0.23551 1.00000
Pd1 Pd 0.72765 0.24107 0.95686 1.00000
Pd2 Pd 0.27235 0.75893 0.04314 1.00000
Pd3 Pd 0.27235 0.74107 0.54314 1.00000
Pd4 Pd 0.72765 0.25893 0.45686 1.00000
F1 F 0.70236 0.06944 0.58437 1.00000
F2 F 0.29764 0.93056 0.41563 1.00000
F3 F 0.29764 0.56944 0.91563 1.00000
F4 F 0.70236 0.43056 0.08437 1.00000
F5 F 0.72346 0.53740 0.86659 1.00000
F6 F 0.27654 0.46260 0.13341 1.00000
F7 F 0.27654 0.03740 0.63341 1.00000
F8 F 0.72346 0.96260 0.36659 1.00000
F9 F 0.74564 0.05694 0.82380 1.00000
F10 F 0.25436 0.94306 0.17620 1.00000
F11 F 0.25436 0.55694 0.67620 1.00000
F12 F 0.74564 0.44306 0.32380 1.00000
F13 F 0.48028 0.22278 0.85927 1.00000
F14 F 0.51972 0.77722 0.14073 1.00000
F15 F 0.51972 0.72278 0.64073 1.00000
F16 F 0.48028 0.27722 0.35927 1.00000
F17 F 0.27691 0.06204 0.95994 1.00000
F18 F 0.72309 0.93796 0.04006 1.00000
F19 F 0.72309 0.56204 0.54006 1.00000
F20 F 0.27691 0.43796 0.45994 1.00000
F21 F 0.97436 0.25277 0.54830 1.00000
F22 F 0.02564 0.74723 0.45170 1.00000
F23 F 0.02564 0.75277 0.95170 1.00000
F24 F 0.97436 0.24723 0.04830 1.00000
F25 F 0.96857 0.40942 0.76842 1.00000
F26 F 0.03143 0.59058 0.23158 1.00000
F27 F 0.03143 0.90942 0.73158 1.00000
F28 F 0.96857 0.09058 0.26842 1.00000
