Fe4MoP16
Alexandria ALEXAlex-ID: agm008244875 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C16_5_spg15
Fe2MoP12 FeP2
2024-12-23 09:06:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008244875).
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 agm008244875
data_agm008244875
_cell_length_a 5.61547
_cell_length_b 10.28652
_cell_length_c 10.86265
_cell_angle_alpha 99.77183
_cell_angle_beta 89.99360
_cell_angle_gamma 105.83374
_cell_volume 594.19429
_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
Fe1 Fe 0.78613 0.78716 0.42198 1.00000
Fe2 Fe 0.99869 0.21270 0.07800 1.00000
Fe3 Fe 0.21387 0.21284 0.57802 1.00000
Fe4 Fe 0.00131 0.78730 0.92200 1.00000
Fe5 Fe 0.35871 0.49957 0.89146 1.00000
Fe6 Fe 0.85906 0.50040 0.60857 1.00000
Fe7 Fe 0.64129 0.50043 0.10854 1.00000
Fe8 Fe 0.14094 0.49960 0.39143 1.00000
Mo1 Mo 0.61893 0.99989 0.74975 1.00000
Mo2 Mo 0.38107 0.00011 0.25025 1.00000
P1 P 0.89247 0.87061 0.62489 1.00000
P2 P 0.02150 0.12923 0.87505 1.00000
P3 P 0.10753 0.12939 0.37511 1.00000
P4 P 0.97850 0.87077 0.12495 1.00000
P5 P 0.67312 0.86690 0.91825 1.00000
P6 P 0.80631 0.13323 0.58165 1.00000
P7 P 0.32688 0.13310 0.08175 1.00000
P8 P 0.19369 0.86677 0.41835 1.00000
P9 P 0.32171 0.71121 0.95597 1.00000
P10 P 0.61028 0.28883 0.54404 1.00000
P11 P 0.67829 0.28879 0.04403 1.00000
P12 P 0.38972 0.71117 0.45596 1.00000
P13 P 0.76951 0.58224 0.93832 1.00000
P14 P 0.18729 0.41790 0.56171 1.00000
P15 P 0.23049 0.41776 0.06168 1.00000
P16 P 0.81271 0.58210 0.43829 1.00000
P17 P 0.48978 0.55261 0.69725 1.00000
P18 P 0.93708 0.44736 0.80282 1.00000
P19 P 0.51022 0.44739 0.30275 1.00000
P20 P 0.06292 0.55264 0.19718 1.00000
P21 P 0.28792 0.28580 0.78044 1.00000
P22 P 0.00229 0.71413 0.71956 1.00000
P23 P 0.71208 0.71420 0.21956 1.00000
P24 P 0.99771 0.28587 0.28044 1.00000
P25 P 0.64457 0.24467 0.83531 1.00000
P26 P 0.39997 0.75510 0.66468 1.00000
P27 P 0.35543 0.75533 0.16469 1.00000
P28 P 0.60003 0.24490 0.33532 1.00000
P29 P 0.25836 0.98615 0.89273 1.00000
P30 P 0.27195 0.01399 0.60734 1.00000
P31 P 0.74164 0.01385 0.10727 1.00000
P32 P 0.72805 0.98601 0.39266 1.00000
