Y3Th2C3
Alexandria ALEXAlex-ID: agm005572991 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_2_spg8
Y(ThC)2 Y2C
2023-06-05 13:13:32.572420
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005572991).
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 agm005572991
data_agm005572991
_cell_length_a 5.16139
_cell_length_b 6.40084
_cell_length_c 11.92137
_cell_angle_alpha 89.34689
_cell_angle_beta 90.00000
_cell_angle_gamma 113.77717
_cell_volume 360.39155
_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
Y1 Y 0.66056 0.32112 0.57386 1.00000
Y2 Y 0.73608 0.47215 0.24977 1.00000
Y3 Y 0.94737 0.89475 0.88005 1.00000
Y4 Y 0.25750 0.51500 0.74668 1.00000
Y5 Y 0.05134 0.10269 0.12056 1.00000
Y6 Y 0.05350 0.10699 0.37961 1.00000
Th1 Th 0.66087 0.32174 0.92932 1.00000
Th2 Th 0.94459 0.88917 0.62013 1.00000
Th3 Th 0.33442 0.66884 0.42916 1.00000
Th4 Th 0.33766 0.67533 0.07100 1.00000
C1 C 0.77976 0.55951 0.75107 1.00000
C2 C 0.83775 0.67549 0.05403 1.00000
C3 C 0.84108 0.68217 0.44212 1.00000
C4 C 0.21984 0.43968 0.24960 1.00000
C5 C 0.15791 0.31583 0.94539 1.00000
C6 C 0.15978 0.31956 0.56200 1.00000
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