Ti7CdIn4
Alexandria ALEXAlex-ID: agm003664595 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Ti2In Cd TiIn
2022-04-20 16:10:46.181575
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003664595).
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 agm003664595
data_agm003664595
_cell_length_a 5.13134
_cell_length_b 9.76192
_cell_length_c 5.77093
_cell_angle_alpha 83.49299
_cell_angle_beta 63.60320
_cell_angle_gamma 74.76227
_cell_volume 249.83076
_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
Ti1 Ti 0.77420 0.91959 0.53200 1.00000
Ti2 Ti 0.22580 0.08041 0.46800 1.00000
Ti3 Ti 0.03120 0.61629 0.32132 1.00000
Ti4 Ti 0.96880 0.38371 0.67868 1.00000
Ti5 Ti 0.35824 0.53462 0.74891 1.00000
Ti6 Ti 0.50000 0.00000 0.00000 1.00000
Ti7 Ti 0.64176 0.46538 0.25109 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
In1 In 0.59435 0.22341 0.58789 1.00000
In2 In 0.40565 0.77659 0.41211 1.00000
In3 In 0.72277 0.68217 0.87229 1.00000
In4 In 0.27723 0.31783 0.12771 1.00000
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