Pr3CdTe2
Alexandria ALEXAlex-ID: agm005756283 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
PrCd PrTe
2023-08-16 21:34:11.862176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756283).
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 agm005756283
data_agm005756283
_cell_length_a 4.41238
_cell_length_b 6.40376
_cell_length_c 7.97345
_cell_angle_alpha 113.67695
_cell_angle_beta 106.07994
_cell_angle_gamma 89.99955
_cell_volume 196.66940
_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
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.17027 0.16999 0.33998 1.00000
Pr3 Pr 0.82973 0.83001 0.66002 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.16587 0.66591 0.33182 1.00000
Te2 Te 0.83413 0.33409 0.66818 1.00000
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