Sm4GaTe3
Alexandria ALEXAlex-ID: agm006019148 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_13_spg13
Sm4GaTe3
2023-09-25 12:22:16.774916
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019148).
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 agm006019148
data_agm006019148
_cell_length_a 7.60895
_cell_length_b 7.67390
_cell_length_c 8.86454
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.44815
_cell_volume 488.07051
_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
Te1 Te 0.75000 0.00000 0.37742 1.00000
Te2 Te 0.25000 0.00000 0.62258 1.00000
Te3 Te 0.75000 0.50000 0.62018 1.00000
Te4 Te 0.75000 0.50000 0.12504 1.00000
Te5 Te 0.25000 0.50000 0.37982 1.00000
Te6 Te 0.25000 0.50000 0.87496 1.00000
Ga1 Ga 0.75000 0.00000 0.87678 1.00000
Ga2 Ga 0.25000 0.00000 0.12322 1.00000
Sm1 Sm 0.98437 0.23605 0.64288 1.00000
Sm2 Sm 0.50133 0.23157 0.88399 1.00000
Sm3 Sm 0.48437 0.23605 0.35712 1.00000
Sm4 Sm 0.00133 0.23157 0.11601 1.00000
Sm5 Sm 0.99867 0.76843 0.88399 1.00000
Sm6 Sm 0.51563 0.76395 0.64288 1.00000
Sm7 Sm 0.49867 0.76843 0.11601 1.00000
Sm8 Sm 0.01563 0.76395 0.35712 1.00000
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