Y12TmC7
Alexandria ALEXAlex-ID: agm005805318 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_30_spg148
Tm2C Tm3C4 Y2C
2023-07-15 14:31:13.537299
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805318).
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 agm005805318
data_agm005805318
_cell_length_a 8.13327
_cell_length_b 8.13327
_cell_length_c 8.13327
_cell_angle_alpha 107.67999
_cell_angle_beta 107.67999
_cell_angle_gamma 107.67999
_cell_volume 439.48847
_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 0.92964 0.30895 0.78644 1.00000
Y2 Y 0.69105 0.21356 0.07036 1.00000
Y3 Y 0.44168 0.15858 0.37344 1.00000
Y4 Y 0.84142 0.62656 0.55832 1.00000
Y5 Y 0.21356 0.07036 0.69105 1.00000
Y6 Y 0.62656 0.55832 0.84142 1.00000
Y7 Y 0.37344 0.44168 0.15858 1.00000
Y8 Y 0.78644 0.92964 0.30895 1.00000
Y9 Y 0.15858 0.37344 0.44168 1.00000
Y10 Y 0.55832 0.84142 0.62656 1.00000
Y11 Y 0.30895 0.78644 0.92964 1.00000
Y12 Y 0.07036 0.69105 0.21356 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
C1 C 0.96020 0.64849 0.88519 1.00000
C2 C 0.35151 0.11481 0.03980 1.00000
C3 C 0.11481 0.03980 0.35151 1.00000
C4 C 0.50000 0.50000 0.50000 1.00000
C5 C 0.88519 0.96020 0.64849 1.00000
C6 C 0.64849 0.88519 0.96020 1.00000
C7 C 0.03980 0.35151 0.11481 1.00000
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