Mg3CdTe4
Alexandria ALEXAlex-ID: agm014293402 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_686_spg12
CdTe MgTe
2024-12-22 07:55:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014293402).
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 agm014293402
data_agm014293402
_cell_length_a 8.00344
_cell_length_b 8.00344
_cell_length_c 8.00344
_cell_angle_alpha 131.78979
_cell_angle_beta 131.78979
_cell_angle_gamma 70.56123
_cell_volume 279.22526
_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 0.50000 0.50000 0.00000 1.00000
Mg2 Mg 0.75000 0.25000 0.50000 1.00000
Mg3 Mg 0.25000 0.75000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.38018 0.87312 0.00000 1.00000
Te2 Te 0.87312 0.38018 0.00000 1.00000
Te3 Te 0.12688 0.12688 0.50706 1.00000
Te4 Te 0.61982 0.61982 0.49294 1.00000
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