CrTe2
Alexandria ALEXAlex-ID: agm005472391 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2148_spg12
CrTe2
2023-03-20 17:05:07.607710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005472391).
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 agm005472391
data_agm005472391
_cell_length_a 6.93208
_cell_length_b 6.93208
_cell_length_c 8.00580
_cell_angle_alpha 61.62969
_cell_angle_beta 61.62969
_cell_angle_gamma 29.68398
_cell_volume 165.90647
_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
Cr1 Cr 0.95715 0.95715 0.19437 1.00000
Cr2 Cr 0.04285 0.04285 0.80563 1.00000
Te1 Te 0.39394 0.39394 0.48161 1.00000
Te2 Te 0.63362 0.63362 0.96630 1.00000
Te3 Te 0.36638 0.36638 0.03370 1.00000
Te4 Te 0.60606 0.60606 0.51839 1.00000
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