TaMo3W5
Alexandria ALEXAlex-ID: agm005963984 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_418_spg2
Ta2Mo4W3 Mo4W TaW7
2023-08-05 20:56:44.399323
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963984).
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 agm005963984
data_agm005963984
_cell_length_a 7.13237
_cell_length_b 8.29252
_cell_length_c 9.57320
_cell_angle_alpha 125.16400
_cell_angle_beta 116.63663
_cell_angle_gamma 105.01793
_cell_volume 292.22281
_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
Ta1 Ta 0.99958 0.99785 0.66477 1.00000
Ta2 Ta 0.00042 0.00215 0.33523 1.00000
Mo1 Mo 0.50312 0.33492 0.83484 1.00000
Mo2 Mo 0.00105 0.33511 0.33402 1.00000
Mo3 Mo 0.00000 0.00000 0.00000 1.00000
Mo4 Mo 0.50000 0.00000 0.50000 1.00000
Mo5 Mo 0.49688 0.66508 0.16516 1.00000
Mo6 Mo 0.99895 0.66489 0.66598 1.00000
W1 W 0.50069 0.00046 0.16668 1.00000
W2 W 0.49794 0.66578 0.83056 1.00000
W3 W 0.00095 0.33397 0.00122 1.00000
W4 W 0.99962 0.66032 0.32962 1.00000
W5 W 0.00038 0.33968 0.67038 1.00000
W6 W 0.99905 0.66603 0.99878 1.00000
W7 W 0.49891 0.66640 0.50094 1.00000
W8 W 0.50206 0.33422 0.16944 1.00000
W9 W 0.49931 0.99954 0.83332 1.00000
W10 W 0.50109 0.33360 0.49906 1.00000
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