Mg2TeW
Alexandria ALEXAlex-ID: agm002851241 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_185_spg122
Mg MgTe W
2017-01-03 22:22:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002851241).
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 agm002851241
data_agm002851241
_cell_length_a 8.03541
_cell_length_b 8.03541
_cell_length_c 6.30309
_cell_angle_alpha 50.40048
_cell_angle_beta 50.40048
_cell_angle_gamma 90.00000
_cell_volume 176.17798
_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
Mg1 Mg 0.63823 0.12500 0.25000 1.00000
Mg2 Mg 0.11177 0.62500 0.25000 1.00000
Mg3 Mg 0.37500 0.36177 0.75000 1.00000
Mg4 Mg 0.87500 0.88823 0.75000 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.25000 0.75000 0.50000 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
W2 W 0.75000 0.25000 0.50000 1.00000
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