Sm3Ge2Cl
Alexandria ALEXAlex-ID: agm005754229 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
Sm2GeCl2 Sm4Ge3
2023-08-17 07:52:32.809140
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754229).
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 agm005754229
data_agm005754229
_cell_length_a 5.91392
_cell_length_b 8.44237
_cell_length_c 12.56969
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99601
_cell_volume 627.57269
_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
Sm1 Sm 0.25018 0.64052 0.59139 1.00000
Sm2 Sm 0.25018 0.14052 0.90861 1.00000
Sm3 Sm 0.25012 0.62176 0.91502 1.00000
Sm4 Sm 0.25012 0.12176 0.58498 1.00000
Sm5 Sm 0.24972 0.61669 0.25279 1.00000
Sm6 Sm 0.24972 0.11669 0.24721 1.00000
Sm7 Sm 0.75028 0.88331 0.75279 1.00000
Sm8 Sm 0.75028 0.38331 0.74721 1.00000
Sm9 Sm 0.74988 0.87824 0.41502 1.00000
Sm10 Sm 0.74988 0.37824 0.08498 1.00000
Sm11 Sm 0.74982 0.85948 0.09139 1.00000
Sm12 Sm 0.74982 0.35948 0.40861 1.00000
Ge1 Ge 0.25029 0.87787 0.75532 1.00000
Ge2 Ge 0.25029 0.37787 0.74468 1.00000
Ge3 Ge 0.24987 0.86840 0.41626 1.00000
Ge4 Ge 0.24987 0.36840 0.08374 1.00000
Ge5 Ge 0.75013 0.63160 0.91626 1.00000
Ge6 Ge 0.75013 0.13160 0.58374 1.00000
Ge7 Ge 0.74971 0.62213 0.25532 1.00000
Ge8 Ge 0.74971 0.12213 0.24468 1.00000
Cl1 Cl 0.24980 0.87281 0.08464 1.00000
Cl2 Cl 0.24980 0.37281 0.41536 1.00000
Cl3 Cl 0.75020 0.62719 0.58464 1.00000
Cl4 Cl 0.75020 0.12719 0.91536 1.00000
