Ca(Ga3Te5)2
Alexandria ALEXAlex-ID: agm003242597 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C10_6_spg5
Ca(Ga3Te5)2
2022-01-07 10:28:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003242597).
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 agm003242597
data_agm003242597
_cell_length_a 10.50696
_cell_length_b 10.50696
_cell_length_c 10.42018
_cell_angle_alpha 89.75290
_cell_angle_beta 89.75290
_cell_angle_gamma 88.90383
_cell_volume 1150.11612
_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 0.99996 0.74207 0.74847 1.00000
Ca2 Ca 0.25793 0.00004 0.25153 1.00000
Te1 Te 0.93856 0.50219 0.56742 1.00000
Te2 Te 0.92533 0.31800 0.93137 1.00000
Te3 Te 0.82238 0.81376 0.32553 1.00000
Te4 Te 0.82770 0.99343 0.68607 1.00000
Te5 Te 0.75537 0.66362 0.91792 1.00000
Te6 Te 0.69449 0.43035 0.25994 1.00000
Te7 Te 0.68200 0.07467 0.06863 1.00000
Te8 Te 0.57766 0.67324 0.56947 1.00000
Te9 Te 0.56965 0.30551 0.74006 1.00000
Te10 Te 0.49781 0.06144 0.43258 1.00000
Te11 Te 0.42985 0.92051 0.82879 1.00000
Te12 Te 0.43051 0.74932 0.16451 1.00000
Te13 Te 0.33638 0.24463 0.08208 1.00000
Te14 Te 0.32676 0.42234 0.43053 1.00000
Te15 Te 0.25068 0.56949 0.83549 1.00000
Te16 Te 0.18624 0.17762 0.67447 1.00000
Te17 Te 0.17445 0.82555 0.50000 1.00000
Te18 Te 0.08327 0.91673 0.00000 1.00000
Te19 Te 0.07949 0.57015 0.17121 1.00000
Te20 Te 0.00657 0.17230 0.31393 1.00000
Ga1 Ga 0.90638 0.99699 0.16714 1.00000
Ga2 Ga 0.82307 0.61635 0.16122 1.00000
Ga3 Ga 0.68543 0.90451 0.87725 1.00000
Ga4 Ga 0.59495 0.91306 0.25217 1.00000
Ga5 Ga 0.50845 0.57780 0.33648 1.00000
Ga6 Ga 0.42220 0.49155 0.66352 1.00000
Ga7 Ga 0.41639 0.86979 0.57452 1.00000
Ga8 Ga 0.38365 0.17693 0.83878 1.00000
Ga9 Ga 0.13021 0.58361 0.42548 1.00000
Ga10 Ga 0.09549 0.31457 0.12275 1.00000
Ga11 Ga 0.08694 0.40505 0.74783 1.00000
Ga12 Ga 0.00301 0.09362 0.83286 1.00000
