Y2WC2
Alexandria ALEXAlex-ID: agm084875158 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_4228_spg14
Y2W2C3 Y2C
2025-02-23 16:43:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm084875158).
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 agm084875158
data_agm084875158
_cell_length_a 5.15187
_cell_length_b 6.67004
_cell_length_c 9.99900
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 343.59741
_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 0.75000 0.04332 0.77934 1.00000
Y2 Y 0.25000 0.95668 0.22066 1.00000
Y3 Y 0.25000 0.45668 0.27934 1.00000
Y4 Y 0.75000 0.54332 0.72066 1.00000
Y5 Y 0.75000 0.17735 0.44197 1.00000
Y6 Y 0.25000 0.82265 0.55803 1.00000
Y7 Y 0.25000 0.32265 0.94197 1.00000
Y8 Y 0.75000 0.67735 0.05803 1.00000
W1 W 0.75000 0.21307 0.13011 1.00000
W2 W 0.25000 0.78693 0.86989 1.00000
W3 W 0.25000 0.28693 0.63011 1.00000
W4 W 0.75000 0.71307 0.36989 1.00000
C1 C 0.25000 0.05684 0.75863 1.00000
C2 C 0.75000 0.94316 0.24137 1.00000
C3 C 0.75000 0.44316 0.25863 1.00000
C4 C 0.25000 0.55684 0.74137 1.00000
C5 C 0.25000 0.17588 0.44774 1.00000
C6 C 0.75000 0.82412 0.55226 1.00000
C7 C 0.75000 0.32412 0.94774 1.00000
C8 C 0.25000 0.67588 0.05226 1.00000
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