AgP7W3
Alexandria ALEXAlex-ID: agm006227771 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_49_spg14
P4W P2W Ag
2024-10-21 07:00:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006227771).
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 agm006227771
data_agm006227771
_cell_length_a 14.19302
_cell_length_b 7.80118
_cell_length_c 7.57908
_cell_angle_alpha 65.93973
_cell_angle_beta 89.99885
_cell_angle_gamma 89.99815
_cell_volume 766.26224
_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
Ag1 Ag 0.71338 0.02243 0.82518 1.00000
Ag2 Ag 0.21340 0.47757 0.17480 1.00000
Ag3 Ag 0.28662 0.97757 0.17482 1.00000
Ag4 Ag 0.78660 0.52243 0.82520 1.00000
P1 P 0.63169 0.82444 0.38869 1.00000
P2 P 0.13169 0.67552 0.61137 1.00000
P3 P 0.36831 0.17556 0.61131 1.00000
P4 P 0.86831 0.32448 0.38863 1.00000
P5 P 0.47955 0.71490 0.08162 1.00000
P6 P 0.97955 0.78511 0.91838 1.00000
P7 P 0.52045 0.28510 0.91838 1.00000
P8 P 0.02045 0.21489 0.08162 1.00000
P9 P 0.60299 0.23515 0.33614 1.00000
P10 P 0.10301 0.26485 0.66387 1.00000
P11 P 0.39701 0.76485 0.66386 1.00000
P12 P 0.89699 0.73515 0.33613 1.00000
P13 P 0.68657 0.37837 0.63921 1.00000
P14 P 0.18656 0.12163 0.36078 1.00000
P15 P 0.31343 0.62163 0.36079 1.00000
P16 P 0.81344 0.87837 0.63922 1.00000
P17 P 0.78875 0.58059 0.23015 1.00000
P18 P 0.28875 0.91943 0.76978 1.00000
P19 P 0.21125 0.41941 0.76985 1.00000
P20 P 0.71125 0.08057 0.23022 1.00000
P21 P 0.64653 0.67772 0.95755 1.00000
P22 P 0.14656 0.82228 0.04244 1.00000
P23 P 0.35347 0.32228 0.04245 1.00000
P24 P 0.85344 0.17772 0.95756 1.00000
P25 P 0.52417 0.87195 0.77487 1.00000
P26 P 0.02417 0.62809 0.22513 1.00000
P27 P 0.47583 0.12805 0.22513 1.00000
P28 P 0.97583 0.37191 0.77487 1.00000
W1 W 0.61264 0.54868 0.31932 1.00000
W2 W 0.11264 0.95133 0.68069 1.00000
W3 W 0.38736 0.45132 0.68068 1.00000
W4 W 0.88736 0.04867 0.31931 1.00000
W5 W 0.57503 0.58494 0.69429 1.00000
W6 W 0.07504 0.91506 0.30573 1.00000
W7 W 0.42497 0.41506 0.30571 1.00000
W8 W 0.92496 0.08494 0.69427 1.00000
W9 W 0.53616 0.21598 0.64318 1.00000
W10 W 0.03617 0.28406 0.35683 1.00000
W11 W 0.46384 0.78402 0.35682 1.00000
W12 W 0.96383 0.71594 0.64317 1.00000
