YTh2WC4
Alexandria ALEXAlex-ID: agm004776909 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_403_spg63
Th2C3 Th6C5 Th2W2C3 Y5W2C7
2022-07-13 11:30:32.633485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004776909).
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 agm004776909
data_agm004776909
_cell_length_a 3.59905
_cell_length_b 6.34000
_cell_length_c 13.00401
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.48930
_cell_volume 284.52160
_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 0.11196 0.22393 0.75000 1.00000
Y2 Y 0.88804 0.77607 0.25000 1.00000
Th1 Th 0.36603 0.73205 0.53689 1.00000
Th2 Th 0.63397 0.26795 0.03689 1.00000
Th3 Th 0.63397 0.26795 0.46311 1.00000
Th4 Th 0.36603 0.73205 0.96311 1.00000
W1 W 0.83867 0.67734 0.75000 1.00000
W2 W 0.16133 0.32266 0.25000 1.00000
C1 C 0.26607 0.53213 0.13610 1.00000
C2 C 0.73393 0.46787 0.63610 1.00000
C3 C 0.73393 0.46787 0.86390 1.00000
C4 C 0.26607 0.53213 0.36390 1.00000
C5 C 0.00000 0.00000 0.50000 1.00000
C6 C 0.00000 0.00000 0.00000 1.00000
C7 C 0.42633 0.85266 0.75000 1.00000
C8 C 0.57367 0.14734 0.25000 1.00000
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