TlCr3Te5
Alexandria ALEXAlex-ID: agm012490638 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_62_spg12
Cr2Te3 TlCrTe2
2024-09-26 03:49:32.852901
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012490638).
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 agm012490638
data_agm012490638
_cell_length_a 11.02354
_cell_length_b 11.02354
_cell_length_c 13.70611
_cell_angle_alpha 58.36385
_cell_angle_beta 58.36385
_cell_angle_gamma 20.94484
_cell_volume 503.60720
_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
Tl1 Tl 0.73644 0.73644 0.19121 1.00000
Tl2 Tl 0.26356 0.26356 0.80879 1.00000
Cr1 Cr 0.50000 0.50000 0.00000 1.00000
Cr2 Cr 0.50000 0.50000 0.50000 1.00000
Cr3 Cr 0.83770 0.83770 0.38547 1.00000
Cr4 Cr 0.16230 0.16230 0.61453 1.00000
Cr5 Cr 0.01085 0.01085 0.22760 1.00000
Cr6 Cr 0.98915 0.98915 0.77240 1.00000
Te1 Te 0.91717 0.91717 0.14824 1.00000
Te2 Te 0.08283 0.08283 0.85176 1.00000
Te3 Te 0.59133 0.59133 0.08260 1.00000
Te4 Te 0.40867 0.40867 0.91740 1.00000
Te5 Te 0.42384 0.42384 0.39209 1.00000
Te6 Te 0.57616 0.57616 0.60791 1.00000
Te7 Te 0.25290 0.25290 0.38213 1.00000
Te8 Te 0.74710 0.74710 0.61787 1.00000
Te9 Te 0.08074 0.08074 0.34466 1.00000
Te10 Te 0.91926 0.91926 0.65534 1.00000
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