AcTh2WC4
Alexandria ALEXAlex-ID: agm004780751 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_403_spg63
AcC2 ThC2 Th2W2C3 Ac
2022-07-13 11:28:00.577027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004780751).
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 agm004780751
data_agm004780751
_cell_length_a 3.70994
_cell_length_b 6.67734
_cell_length_c 12.83045
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.12896
_cell_volume 305.33172
_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
Ac1 Ac 0.09810 0.19621 0.75000 1.00000
Ac2 Ac 0.90190 0.80379 0.25000 1.00000
Th1 Th 0.36917 0.73834 0.54033 1.00000
Th2 Th 0.63083 0.26166 0.04033 1.00000
Th3 Th 0.63083 0.26166 0.45967 1.00000
Th4 Th 0.36917 0.73834 0.95967 1.00000
W1 W 0.83103 0.66205 0.75000 1.00000
W2 W 0.16897 0.33795 0.25000 1.00000
C1 C 0.26072 0.52144 0.12874 1.00000
C2 C 0.73928 0.47856 0.62874 1.00000
C3 C 0.73928 0.47856 0.87126 1.00000
C4 C 0.26072 0.52144 0.37126 1.00000
C5 C 0.00000 0.00000 0.50000 1.00000
C6 C 0.00000 0.00000 0.00000 1.00000
C7 C 0.40758 0.81516 0.75000 1.00000
C8 C 0.59242 0.18484 0.25000 1.00000
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