TeMo
Alexandria ALEXAlex-ID: agm005447446 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1532_spg8
Te4Mo3 Mo
2023-03-21 15:23:36.617160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005447446).
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 agm005447446
data_agm005447446
_cell_length_a 5.87638
_cell_length_b 5.87638
_cell_length_c 6.99060
_cell_angle_alpha 85.15675
_cell_angle_beta 85.15675
_cell_angle_gamma 33.33887
_cell_volume 132.15351
_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
Te1 Te 0.95909 0.95909 0.08534 1.00000
Te2 Te 0.00815 0.00815 0.57037 1.00000
Te3 Te 0.22727 0.22727 0.95776 1.00000
Mo1 Mo 0.30433 0.30433 0.33788 1.00000
Mo2 Mo 0.73677 0.73677 0.59351 1.00000
Mo3 Mo 0.59772 0.59772 0.28847 1.00000
