SmTm3C8
Alexandria ALEXAlex-ID: agm005972085 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_135_spg121
Tm4C7 Sm4C5 C
2023-09-07 20:44:10.037378
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005972085).
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 agm005972085
data_agm005972085
_cell_length_a 6.14647
_cell_length_b 6.25192
_cell_length_c 6.14763
_cell_angle_alpha 64.99799
_cell_angle_beta 81.92976
_cell_angle_gamma 114.99530
_cell_volume 178.81892
_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 0.99796 1.00000 0.00195 1.00000
Tm1 Tm 0.73052 0.50002 0.76949 1.00000
Tm2 Tm 0.23051 0.49998 0.26951 1.00000
Tm3 Tm 0.50274 1.00000 0.49727 1.00000
C1 C 0.09954 0.00000 0.56092 1.00000
C2 C 0.56948 0.66105 0.43056 1.00000
C3 C 0.90843 0.33895 0.09161 1.00000
C4 C 0.43920 1.00000 0.90049 1.00000
C5 C 0.88636 1.00000 0.59998 1.00000
C6 C 0.61518 0.49494 0.38490 1.00000
C7 C 0.12023 0.50506 0.87984 1.00000
C8 C 0.40002 0.00000 0.11362 1.00000
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