Sm2Th3C4
Alexandria ALEXAlex-ID: agm005689560 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Sm2ThC2 Sm4C5 Th6C5
2023-06-26 19:43:26.351911
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689560).
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 agm005689560
data_agm005689560
_cell_length_a 3.75613
_cell_length_b 6.54116
_cell_length_c 8.37399
_cell_angle_alpha 75.84501
_cell_angle_beta 77.03980
_cell_angle_gamma 73.31469
_cell_volume 188.45096
_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 0.60960 0.16914 0.61166 1.00000
Sm2 Sm 0.39040 0.83086 0.38834 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.20177 0.40153 0.19493 1.00000
Th3 Th 0.79823 0.59847 0.80507 1.00000
C1 C 0.80150 0.09778 0.29922 1.00000
C2 C 0.19850 0.90222 0.70078 1.00000
C3 C 0.38859 0.30983 0.91298 1.00000
C4 C 0.61141 0.69017 0.08702 1.00000
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