Pr6Te2C3
Alexandria ALEXAlex-ID: agm005603628 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_107_spg12
Pr3TeC Pr2TeC2 PrC
2023-06-12 09:19:51.280430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603628).
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 agm005603628
data_agm005603628
_cell_length_a 6.75301
_cell_length_b 6.76718
_cell_length_c 7.93333
_cell_angle_alpha 81.68912
_cell_angle_beta 73.16030
_cell_angle_gamma 60.06927
_cell_volume 300.71836
_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 0.39655 0.65890 0.81290 1.00000
Pr2 Pr 0.73561 0.00000 0.82029 1.00000
Pr3 Pr 0.05545 0.34110 0.81290 1.00000
Pr4 Pr 0.26439 0.00000 0.17971 1.00000
Pr5 Pr 0.60345 0.34110 0.18710 1.00000
Pr6 Pr 0.94455 0.65890 0.18710 1.00000
Te1 Te 0.16446 0.67107 0.50000 1.00000
Te2 Te 0.83554 0.32893 0.50000 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.32683 0.34633 0.00000 1.00000
C3 C 0.67317 0.65367 0.00000 1.00000
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