AgMo13P6
Alexandria ALEXAlex-ID: agm006229016 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C13_11_spg2
Mo3P MoP Ag
2024-10-21 11:07:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006229016).
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 agm006229016
data_agm006229016
_cell_length_a 8.21495
_cell_length_b 6.76601
_cell_length_c 13.59173
_cell_angle_alpha 86.75354
_cell_angle_beta 76.57165
_cell_angle_gamma 58.89301
_cell_volume 627.32290
_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 0.65415 0.00295 0.76427 1.00000
Ag2 Ag 0.34585 0.99705 0.23573 1.00000
Mo1 Mo 0.15291 0.47416 0.72408 1.00000
Mo2 Mo 0.84709 0.52584 0.27592 1.00000
Mo3 Mo 0.22688 0.12385 0.88346 1.00000
Mo4 Mo 0.77312 0.87615 0.11654 1.00000
Mo5 Mo 0.85148 0.22988 0.01742 1.00000
Mo6 Mo 0.14852 0.77012 0.98258 1.00000
Mo7 Mo 0.58639 0.75906 0.96027 1.00000
Mo8 Mo 0.41361 0.24094 0.03973 1.00000
Mo9 Mo 0.98374 0.04674 0.79544 1.00000
Mo10 Mo 0.01626 0.95326 0.20456 1.00000
Mo11 Mo 0.60435 0.37709 0.89378 1.00000
Mo12 Mo 0.39565 0.62291 0.10622 1.00000
Mo13 Mo 0.21947 0.78332 0.61331 1.00000
Mo14 Mo 0.78053 0.21668 0.38669 1.00000
Mo15 Mo 0.38185 0.03310 0.65474 1.00000
Mo16 Mo 0.61815 0.96690 0.34526 1.00000
Mo17 Mo 0.30880 0.36065 0.49802 1.00000
Mo18 Mo 0.69120 0.63935 0.50198 1.00000
Mo19 Mo 0.06964 0.29267 0.42130 1.00000
Mo20 Mo 0.93036 0.70733 0.57870 1.00000
Mo21 Mo 0.85052 0.15588 0.58477 1.00000
Mo22 Mo 0.14948 0.84412 0.41523 1.00000
Mo23 Mo 0.35420 0.72532 0.79447 1.00000
Mo24 Mo 0.64580 0.27468 0.20553 1.00000
Mo25 Mo 0.74401 0.54406 0.72291 1.00000
Mo26 Mo 0.25599 0.45594 0.27709 1.00000
P1 P 0.90630 0.43648 0.86541 1.00000
P2 P 0.09370 0.56352 0.13459 1.00000
P3 P 0.79674 0.94613 0.93706 1.00000
P4 P 0.20326 0.05387 0.06294 1.00000
P5 P 0.30811 0.41483 0.87273 1.00000
P6 P 0.69189 0.58517 0.12727 1.00000
P7 P 0.06263 0.26916 0.61820 1.00000
P8 P 0.93737 0.73084 0.38180 1.00000
P9 P 0.63364 0.05668 0.53003 1.00000
P10 P 0.36636 0.94332 0.46997 1.00000
P11 P 0.53504 0.48769 0.63524 1.00000
P12 P 0.46496 0.51231 0.36476 1.00000
