Ta3Mo4
Alexandria ALEXAlex-ID: agm003258024 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_31_spg12
Ta3Mo4
2021-12-03 06:26:53.087769
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003258024).
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
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# CIF generated by HEAS from Alexandria entry agm003258024
data_agm003258024
_cell_length_a 5.31610
_cell_length_b 5.31610
_cell_length_c 5.33757
_cell_angle_alpha 84.98933
_cell_angle_beta 84.98933
_cell_angle_gamma 51.26074
_cell_volume 117.10566
_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
Mo1 Mo 0.99844 0.99844 0.00050 1.00000
Mo2 Mo 0.71584 0.71584 0.14236 1.00000
Mo3 Mo 0.14296 0.14296 0.42335 1.00000
Mo4 Mo 0.57132 0.57132 0.71950 1.00000
Ta1 Ta 0.43088 0.43088 0.28732 1.00000
Ta2 Ta 0.85714 0.85714 0.57143 1.00000
Ta3 Ta 0.28341 0.28341 0.85554 1.00000
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