Ca3TiGe5
Alexandria ALEXAlex-ID: agm072807182 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_921_spg38
CaGe2 Ti5Ge4 CaGe
2024-09-23 19:41:57.130744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072807182).
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 agm072807182
data_agm072807182
_cell_length_a 7.25029
_cell_length_b 7.25029
_cell_length_c 4.80996
_cell_angle_alpha 88.09393
_cell_angle_beta 88.09393
_cell_angle_gamma 127.94791
_cell_volume 198.81147
_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
Ca1 Ca 0.13322 0.70603 0.51391 1.00000
Ca2 Ca 0.70603 0.13322 0.51391 1.00000
Ca3 Ca 0.49992 0.49992 0.53230 1.00000
Ti1 Ti 0.92754 0.92754 0.94241 1.00000
Ge1 Ge 0.03815 0.03815 0.42740 1.00000
Ge2 Ge 0.07234 0.36682 0.02053 1.00000
Ge3 Ge 0.77720 0.48101 0.01627 1.00000
Ge4 Ge 0.36682 0.07234 0.02053 1.00000
Ge5 Ge 0.48101 0.77720 0.01627 1.00000
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