V8FeMo3
Alexandria ALEXAlex-ID: agm005963340 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_30_spg156
V9Fe2 V3Mo2 V4FeMo
2023-09-12 22:57:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963340).
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 agm005963340
data_agm005963340
_cell_length_a 5.00791
_cell_length_b 5.00784
_cell_length_c 7.78968
_cell_angle_alpha 90.00081
_cell_angle_beta 89.99970
_cell_angle_gamma 119.99853
_cell_volume 169.18576
_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
V1 V 0.33329 0.66669 0.94307 1.00000
V2 V 0.17054 0.34099 0.23707 1.00000
V3 V 0.65899 0.82945 0.23699 1.00000
V4 V 0.66671 0.33331 0.05693 1.00000
V5 V 0.34101 0.17055 0.76301 1.00000
V6 V 0.82946 0.65901 0.76293 1.00000
V7 V 0.82948 0.17056 0.76287 1.00000
V8 V 0.17052 0.82944 0.23713 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Mo1 Mo 0.00000 0.00000 0.50000 1.00000
Mo2 Mo 0.66664 0.33332 0.43952 1.00000
Mo3 Mo 0.33336 0.66668 0.56048 1.00000
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